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

Systemtic Name: 2-[2-(cyclohexen-1-yl)ethylamino]-4-[(2-methoxy-4-nitro-phenyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 2-[2-(cyclohexen-1-yl)ethylamino]-4-(2-methoxy-4-nitro-anilino)-4-oxo-butanoic acid CAS Name: 2-[2-(1-cyclohexenyl)ethylamino]-4-(2-methoxy-4-nitroanilino)-4-oxobutanoic acid IUPAC Name: 2-[2-(cyclohexen-1-yl)ethylamino]-4-(2-methoxy-4-nitroanilino)-4-oxobutanoic acid Traditional Name: 2-[2-(cyclohexen-1-yl)ethylamino]-4-keto-4-(2-methoxy-4-nitro-anilino)butyric acid Formula: C19H25N3O6 MolecularWeight: 391.4183

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CC(C(=O)O)NCCC2=CCCCC2

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CC(C(=O)O)NCCC2=CCCCC2

InChI

InChI=1S/C19H25N3O6/c1-28-17-11-14(22(26)27)7-8-15(17)21-18(23)12-16(19(24)25)20-10-9-13-5-3-2-4-6-13/h5,7-8,11,16,20H,2-4,6,9-10,12H2,1H3,(H,21,23)(H,24,25)