methyl 4-[2-[(2-aminophenyl)amino]-6-oxidanylidene-cyclohexen-1-yl]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[2-[(2-aminophenyl)amino]-6-oxidanylidene-cyclohexen-1-yl]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[2-(2-aminoanilino)-6-oxo-cyclohexen-1-yl]-4-oxo-butanoate CAS Name: 4-[2-(2-aminoanilino)-6-oxo-1-cyclohexenyl]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[2-(2-aminoanilino)-6-oxocyclohexen-1-yl]-4-oxobutanoate Traditional Name: 4-[2-(2-aminoanilino)-6-keto-cyclohexen-1-yl]-4-keto-butyric acid methyl ester Formula: C17H20N2O4 MolecularWeight: 316.3517

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)C1=C(CCCC1=O)NC2=CC=CC=C2N

Isomeric SMILES

COC(=O)CCC(=O)C1=C(CCCC1=O)NC2=CC=CC=C2N

InChI

InChI=1S/C17H20N2O4/c1-23-16(22)10-9-15(21)17-13(7-4-8-14(17)20)19-12-6-3-2-5-11(12)18/h2-3,5-6,19H,4,7-10,18H2,1H3