3-oxidanylidenebutyl 4-azanyl-5-cyano-6-(3,4-dimethoxyphenyl)-2-methyl-cyclohexa-1,4-diene-1-carboxylate

Systemtic Name: 3-oxidanylidenebutyl 4-azanyl-5-cyano-6-(3,4-dimethoxyphenyl)-2-methyl-cyclohexa-1,4-diene-1-carboxylate Openeye Name: 3-oxobutyl 4-amino-5-cyano-6-(3,4-dimethoxyphenyl)-2-methyl-cyclohexa-1,4-diene-1-carboxylate CAS Name: 4-amino-5-cyano-6-(3,4-dimethoxyphenyl)-2-methyl-1-cyclohexa-1,4-dienecarboxylic acid 3-oxobutyl ester IUPAC Name: 3-oxobutyl 4-amino-5-cyano-6-(3,4-dimethoxyphenyl)-2-methylcyclohexa-1,4-diene-1-carboxylate Traditional Name: 4-amino-5-cyano-6-(3,4-dimethoxyphenyl)-2-methyl-cyclohexa-1,4-diene-1-carboxylic acid 3-ketobutyl ester Formula: C21H24N2O5 MolecularWeight: 384.42566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(C1)N)C#N)C2=CC(=C(C=C2)OC)OC)C(=O)OCCC(=O)C

Isomeric SMILES

CC1=C(C(C(=C(C1)N)C#N)C2=CC(=C(C=C2)OC)OC)C(=O)OCCC(=O)C

InChI

InChI=1S/C21H24N2O5/c1-12-9-16(23)15(11-22)20(19(12)21(25)28-8-7-13(2)24)14-5-6-17(26-3)18(10-14)27-4/h5-6,10,20H,7-9,23H2,1-4H3