2-[3-(dimethylamino)propylamino]-4-[(2-methoxy-4-nitro-phenyl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 2-[3-(dimethylamino)propylamino]-4-[(2-methoxy-4-nitro-phenyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 2-[3-(dimethylamino)propylamino]-4-(2-methoxy-4-nitro-anilino)-4-oxo-butanoic acid CAS Name: 2-[3-(dimethylamino)propylamino]-4-(2-methoxy-4-nitroanilino)-4-oxobutanoic acid IUPAC Name: 2-[3-(dimethylamino)propylamino]-4-(2-methoxy-4-nitroanilino)-4-oxobutanoic acid Traditional Name: 2-[3-(dimethylamino)propylamino]-4-keto-4-(2-methoxy-4-nitro-anilino)butyric acid Formula: C16H24N4O6 MolecularWeight: 368.38496

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCNC(CC(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC)C(=O)O

Isomeric SMILES

CN(C)CCCNC(CC(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC)C(=O)O

InChI

InChI=1S/C16H24N4O6/c1-19(2)8-4-7-17-13(16(22)23)10-15(21)18-12-6-5-11(20(24)25)9-14(12)26-3/h5-6,9,13,17H,4,7-8,10H2,1-3H3,(H,18,21)(H,22,23)