ethyl (5E)-5-[(E)-3-azanyl-2-cyano-3-[(3,4-dimethoxyphenyl)methylamino]prop-2-enylidene]-2-methyl-4-oxidanylidene-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl (5E)-5-[(E)-3-azanyl-2-cyano-3-[(3,4-dimethoxyphenyl)methylamino]prop-2-enylidene]-2-methyl-4-oxidanylidene-1H-pyrrole-3-carboxylate Openeye Name: ethyl (5E)-5-[(E)-3-amino-2-cyano-3-[(3,4-dimethoxyphenyl)methylamino]prop-2-enylidene]-2-methyl-4-oxo-1H-pyrrole-3-carboxylate CAS Name: (5E)-5-[(E)-3-amino-2-cyano-3-[(3,4-dimethoxyphenyl)methylamino]prop-2-enylidene]-2-methyl-4-oxo-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl (5E)-5-[(E)-3-amino-2-cyano-3-[(3,4-dimethoxyphenyl)methylamino]prop-2-enylidene]-2-methyl-4-oxo-1H-pyrrole-3-carboxylate Traditional Name: (5E)-5-[(E)-3-amino-2-cyano-3-(veratrylamino)prop-2-enylidene]-4-keto-2-methyl-2-pyrroline-3-carboxylic acid ethyl ester Formula: C21H24N4O5 MolecularWeight: 412.43906

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=CC(=C(N)NCC2=CC(=C(C=C2)OC)OC)C#N)C1=O)C

Isomeric SMILES

CCOC(=O)C1=C(N/C(=C/C(=C(/N)\NCC2=CC(=C(C=C2)OC)OC)/C#N)/C1=O)C

InChI

InChI=1S/C21H24N4O5/c1-5-30-21(27)18-12(2)25-15(19(18)26)9-14(10-22)20(23)24-11-13-6-7-16(28-3)17(8-13)29-4/h6-9,24-25H,5,11,23H2,1-4H3/b15-9+,20-14+