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

Systemtic Name: 4-[(4-methyl-2-nitro-phenyl)amino]-4-oxidanylidene-2-piperazin-1-yl-butanoic acid Openeye Name: 4-(4-methyl-2-nitro-anilino)-4-oxo-2-piperazin-1-yl-butanoic acid CAS Name: 4-(4-methyl-2-nitroanilino)-4-oxo-2-(1-piperazinyl)butanoic acid IUPAC Name: 4-(4-methyl-2-nitroanilino)-4-oxo-2-piperazin-1-ylbutanoic acid Traditional Name: 4-keto-4-(4-methyl-2-nitro-anilino)-2-piperazino-butyric acid Formula: C15H20N4O5 MolecularWeight: 336.3431

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CC(C(=O)O)N2CCNCC2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CC(C(=O)O)N2CCNCC2)[N+](=O)[O-]

InChI

InChI=1S/C15H20N4O5/c1-10-2-3-11(12(8-10)19(23)24)17-14(20)9-13(15(21)22)18-6-4-16-5-7-18/h2-3,8,13,16H,4-7,9H2,1H3,(H,17,20)(H,21,22)