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

Systemtic Name: ethyl 5-[(E)-2-cyano-3-[(2-ethoxyphenyl)amino]-3-oxidanylidene-prop-1-enyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[(E)-2-cyano-3-(2-ethoxyanilino)-3-oxo-prop-1-enyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[(E)-2-cyano-3-(2-ethoxyanilino)-3-oxoprop-1-enyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[(E)-2-cyano-3-(2-ethoxyanilino)-3-oxoprop-1-enyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[(E)-2-cyano-3-keto-3-(o-phenetidino)prop-1-enyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)C(=CC2=C(C(=C(N2)C)C(=O)OCC)C)C#N

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)/C(=C/C2=C(C(=C(N2)C)C(=O)OCC)C)/C#N

InChI

InChI=1S/C21H23N3O4/c1-5-27-18-10-8-7-9-16(18)24-20(25)15(12-22)11-17-13(3)19(14(4)23-17)21(26)28-6-2/h7-11,23H,5-6H2,1-4H3,(H,24,25)/b15-11+