methyl 4-[3-[(E)-2-cyano-3-(2-methoxyethylamino)-3-oxidanylidene-prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]benzoate

Systemtic Name: methyl 4-[3-[(E)-2-cyano-3-(2-methoxyethylamino)-3-oxidanylidene-prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]benzoate Openeye Name: methyl 4-[3-[(E)-2-cyano-3-(2-methoxyethylamino)-3-oxo-prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]benzoate CAS Name: 4-[3-[(E)-2-cyano-3-(2-methoxyethylamino)-3-oxoprop-1-enyl]-2,5-dimethyl-1-pyrrolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-[(E)-2-cyano-3-(2-methoxyethylamino)-3-oxoprop-1-enyl]-2,5-dimethylpyrrol-1-yl]benzoate Traditional Name: 4-[3-[(E)-2-cyano-3-keto-3-(2-methoxyethylamino)prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid methyl ester Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)OC)C)C=C(C#N)C(=O)NCCOC

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)OC)C)/C=C(\C#N)/C(=O)NCCOC

InChI

InChI=1S/C21H23N3O4/c1-14-11-17(12-18(13-22)20(25)23-9-10-27-3)15(2)24(14)19-7-5-16(6-8-19)21(26)28-4/h5-8,11-12H,9-10H2,1-4H3,(H,23,25)/b18-12+