AAN

2-(4-NITROPHENYL)ACETIC ACID

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Chemical Component Summary
Name	2-(4-NITROPHENYL)ACETIC ACID
Identifiers	2-(4-nitrophenyl)ethanoic acid
Formula	C₈ H₇ N O₄
Molecular Weight	181.145
Type	NON-POLYMER
Isomeric SMILES	c1cc(ccc1CC(=O)O)[N+](=O)[O-]
InChI	InChI=1S/C8H7NO4/c10-8(11)5-6-1-3-7(4-2-6)9(12)13/h1-4H,5H2,(H,10,11)
InChIKey	YBADLXQNJCMBKR-UHFFFAOYSA-N

Chemical Details
Formal Charge	0
Atom Count	20
Chiral Atom Count	0
Bond Count	20
Aromatic Bond Count	6

Drug Info: DrugBank

DrugBank ID	DB07331
Name	p-Nitrophenylacetic acid
Groups	experimental
Synonyms	(4-nitrophenyl)acetic acid p-Nitrophenylacetic acid 4-nitrophenylacetic acid 2-(p-nitrophenyl)acetic acid 4-nitrobenzeneacetic acid
Categories	Acids, Carbocyclic
CAS number	104-03-0

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Penicillin G acylase	MKNRNRMIVNCVTASLMYYWSLPALAEQSSSEIKIVRDEYGMPHIYANDT...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682