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

Systemtic Name: 4-[(4-methyl-2-nitro-phenyl)amino]-2-(4-methylpiperazin-1-yl)-4-oxidanylidene-butanoic acid Openeye Name: 4-(4-methyl-2-nitro-anilino)-2-(4-methylpiperazin-1-yl)-4-oxo-butanoic acid CAS Name: 4-(4-methyl-2-nitroanilino)-2-(4-methyl-1-piperazinyl)-4-oxobutanoic acid IUPAC Name: 4-(4-methyl-2-nitroanilino)-2-(4-methylpiperazin-1-yl)-4-oxobutanoic acid Traditional Name: 4-keto-4-(4-methyl-2-nitro-anilino)-2-(4-methylpiperazino)butyric acid Formula: C16H22N4O5 MolecularWeight: 350.36968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CC(C(=O)O)N2CCN(CC2)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CC(C(=O)O)N2CCN(CC2)C)[N+](=O)[O-]

InChI

InChI=1S/C16H22N4O5/c1-11-3-4-12(13(9-11)20(24)25)17-15(21)10-14(16(22)23)19-7-5-18(2)6-8-19/h3-4,9,14H,5-8,10H2,1-2H3,(H,17,21)(H,22,23)