ethyl 4-[(E)-3-[(3-cyanophenyl)amino]-3-oxidanylidene-prop-1-enyl]-1-ethyl-2,5-dimethyl-pyrrole-3-carboxylate

Systemtic Name: ethyl 4-[(E)-3-[(3-cyanophenyl)amino]-3-oxidanylidene-prop-1-enyl]-1-ethyl-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: ethyl 4-[(E)-3-(3-cyanoanilino)-3-oxo-prop-1-enyl]-1-ethyl-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 4-[(E)-3-(3-cyanoanilino)-3-oxoprop-1-enyl]-1-ethyl-2,5-dimethyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(E)-3-(3-cyanoanilino)-3-oxoprop-1-enyl]-1-ethyl-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 4-[(E)-3-(3-cyanoanilino)-3-keto-prop-1-enyl]-1-ethyl-2,5-dimethyl-pyrrole-3-carboxylic acid ethyl ester Formula: C21H23N3O3 MolecularWeight: 365.42562

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=C1C)C(=O)OCC)C=CC(=O)NC2=CC=CC(=C2)C#N)C

Isomeric SMILES

CCN1C(=C(C(=C1C)C(=O)OCC)/C=C/C(=O)NC2=CC=CC(=C2)C#N)C

InChI

InChI=1S/C21H23N3O3/c1-5-24-14(3)18(20(15(24)4)21(26)27-6-2)10-11-19(25)23-17-9-7-8-16(12-17)13-22/h7-12H,5-6H2,1-4H3,(H,23,25)/b11-10+