4-[(2-methoxy-5-nitro-phenyl)amino]-2-(4-methylpiperazin-1-yl)-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(2-methoxy-5-nitro-phenyl)amino]-2-(4-methylpiperazin-1-yl)-4-oxidanylidene-butanoic acid Openeye Name: 4-(2-methoxy-5-nitro-anilino)-2-(4-methylpiperazin-1-yl)-4-oxo-butanoic acid CAS Name: 4-(2-methoxy-5-nitroanilino)-2-(4-methyl-1-piperazinyl)-4-oxobutanoic acid IUPAC Name: 4-(2-methoxy-5-nitroanilino)-2-(4-methylpiperazin-1-yl)-4-oxobutanoic acid Traditional Name: 4-keto-4-(2-methoxy-5-nitro-anilino)-2-(4-methylpiperazino)butyric acid Formula: C16H22N4O6 MolecularWeight: 366.36908

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(CC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])OC)C(=O)O

Isomeric SMILES

CN1CCN(CC1)C(CC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])OC)C(=O)O

InChI

InChI=1S/C16H22N4O6/c1-18-5-7-19(8-6-18)13(16(22)23)10-15(21)17-12-9-11(20(24)25)3-4-14(12)26-2/h3-4,9,13H,5-8,10H2,1-2H3,(H,17,21)(H,22,23)