methyl (1S,6R)-4-[(4-aminocarbonylphenyl)amino]-6-methyl-2-oxidanylidene-cyclohex-3-ene-1-carboxylate

Systemtic Name: methyl (1S,6R)-4-[(4-aminocarbonylphenyl)amino]-6-methyl-2-oxidanylidene-cyclohex-3-ene-1-carboxylate Openeye Name: methyl (1S,6R)-4-(4-carbamoylanilino)-6-methyl-2-oxo-cyclohex-3-ene-1-carboxylate CAS Name: (1S,6R)-4-(4-carbamoylanilino)-6-methyl-2-oxo-1-cyclohex-3-enecarboxylic acid methyl ester IUPAC Name: methyl (1S,6R)-4-(4-carbamoylanilino)-6-methyl-2-oxocyclohex-3-ene-1-carboxylate Traditional Name: (1S,6R)-4-(4-carbamoylanilino)-2-keto-6-methyl-cyclohex-3-ene-1-carboxylic acid methyl ester Formula: C16H18N2O4 MolecularWeight: 302.32512

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=CC(=O)C1C(=O)OC)NC2=CC=C(C=C2)C(=O)N

Isomeric SMILES

C[C@@H]1CC(=CC(=O)[C@H]1C(=O)OC)NC2=CC=C(C=C2)C(=O)N

InChI

InChI=1S/C16H18N2O4/c1-9-7-12(8-13(19)14(9)16(21)22-2)18-11-5-3-10(4-6-11)15(17)20/h3-6,8-9,14,18H,7H2,1-2H3,(H2,17,20)/t9-,14+/m1/s1