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

Systemtic Name: ethyl 5-[(E)-2-cyano-3-(2-methyl-1H-indol-3-yl)-3-oxidanylidene-prop-1-enyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[(E)-2-cyano-3-(2-methyl-1H-indol-3-yl)-3-oxo-prop-1-enyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[(E)-2-cyano-3-(2-methyl-1H-indol-3-yl)-3-oxoprop-1-enyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[(E)-2-cyano-3-(2-methyl-1H-indol-3-yl)-3-oxoprop-1-enyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[(E)-2-cyano-3-keto-3-(2-methyl-1H-indol-3-yl)prop-1-enyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C22H21N3O3 MolecularWeight: 375.42044

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C=C(C#N)C(=O)C2=C(NC3=CC=CC=C32)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)/C=C(\C#N)/C(=O)C2=C(NC3=CC=CC=C32)C)C

InChI

InChI=1S/C22H21N3O3/c1-5-28-22(27)19-12(2)18(25-13(19)3)10-15(11-23)21(26)20-14(4)24-17-9-7-6-8-16(17)20/h6-10,24-25H,5H2,1-4H3/b15-10+