4-[(2-methoxy-4-nitro-phenyl)amino]-4-oxidanylidene-2-piperazin-1-yl-butanoic acid

Systemtic Name: 4-[(2-methoxy-4-nitro-phenyl)amino]-4-oxidanylidene-2-piperazin-1-yl-butanoic acid Openeye Name: 4-(2-methoxy-4-nitro-anilino)-4-oxo-2-piperazin-1-yl-butanoic acid CAS Name: 4-(2-methoxy-4-nitroanilino)-4-oxo-2-(1-piperazinyl)butanoic acid IUPAC Name: 4-(2-methoxy-4-nitroanilino)-4-oxo-2-piperazin-1-ylbutanoic acid Traditional Name: 4-keto-4-(2-methoxy-4-nitro-anilino)-2-piperazino-butyric acid Formula: C15H20N4O6 MolecularWeight: 352.3425

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CC(C(=O)O)N2CCNCC2

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CC(C(=O)O)N2CCNCC2

InChI

InChI=1S/C15H20N4O6/c1-25-13-8-10(19(23)24)2-3-11(13)17-14(20)9-12(15(21)22)18-6-4-16-5-7-18/h2-3,8,12,16H,4-7,9H2,1H3,(H,17,20)(H,21,22)