ethyl 5-cyano-3-[(E)-3-ethoxy-3-oxidanylidene-prop-1-enyl]-2-phenyl-indole-1-carboxylate

Systemtic Name: ethyl 5-cyano-3-[(E)-3-ethoxy-3-oxidanylidene-prop-1-enyl]-2-phenyl-indole-1-carboxylate Openeye Name: ethyl 5-cyano-3-[(E)-3-ethoxy-3-oxo-prop-1-enyl]-2-phenyl-indole-1-carboxylate CAS Name: 5-cyano-3-[(E)-3-ethoxy-3-oxoprop-1-enyl]-2-phenyl-1-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-3-[(E)-3-ethoxy-3-oxoprop-1-enyl]-2-phenylindole-1-carboxylate Traditional Name: 5-cyano-3-[(E)-3-ethoxy-3-keto-prop-1-enyl]-2-phenyl-indole-1-carboxylic acid ethyl ester Formula: C23H20N2O4 MolecularWeight: 388.4159

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC1=C(N(C2=C1C=C(C=C2)C#N)C(=O)OCC)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)/C=C/C1=C(N(C2=C1C=C(C=C2)C#N)C(=O)OCC)C3=CC=CC=C3

InChI

InChI=1S/C23H20N2O4/c1-3-28-21(26)13-11-18-19-14-16(15-24)10-12-20(19)25(23(27)29-4-2)22(18)17-8-6-5-7-9-17/h5-14H,3-4H2,1-2H3/b13-11+