ethyl 5-[2-cyano-3-(1H-indol-6-yl)-3-oxidanylidene-propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-[2-cyano-3-(1H-indol-6-yl)-3-oxidanylidene-propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[2-cyano-3-(1H-indol-6-yl)-3-oxo-propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[2-cyano-3-(1H-indol-6-yl)-1,3-dioxopropyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-cyano-3-(1H-indol-6-yl)-3-oxopropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-cyano-3-(1H-indol-6-yl)-3-keto-propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C21H19N3O4 MolecularWeight: 377.39326

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)C(C#N)C(=O)C2=CC3=C(C=C2)C=CN3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)C(C#N)C(=O)C2=CC3=C(C=C2)C=CN3)C

InChI

InChI=1S/C21H19N3O4/c1-4-28-21(27)17-11(2)18(24-12(17)3)20(26)15(10-22)19(25)14-6-5-13-7-8-23-16(13)9-14/h5-9,15,23-24H,4H2,1-3H3