4-[(E)-2-cyano-3-(7-ethyl-1H-indol-3-yl)-3-oxidanylidene-prop-1-enyl]benzoic acid

Systemtic Name: 4-[(E)-2-cyano-3-(7-ethyl-1H-indol-3-yl)-3-oxidanylidene-prop-1-enyl]benzoic acid Openeye Name: 4-[(E)-2-cyano-3-(7-ethyl-1H-indol-3-yl)-3-oxo-prop-1-enyl]benzoic acid CAS Name: 4-[(E)-2-cyano-3-(7-ethyl-1H-indol-3-yl)-3-oxoprop-1-enyl]benzoic acid IUPAC Name: 4-[(E)-2-cyano-3-(7-ethyl-1H-indol-3-yl)-3-oxoprop-1-enyl]benzoic acid Traditional Name: 4-[(E)-2-cyano-3-(7-ethyl-1H-indol-3-yl)-3-keto-prop-1-enyl]benzoic acid Formula: C21H16N2O3 MolecularWeight: 344.36334

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C1NC=C2C(=O)C(=CC3=CC=C(C=C3)C(=O)O)C#N

Isomeric SMILES

CCC1=CC=CC2=C1NC=C2C(=O)/C(=C/C3=CC=C(C=C3)C(=O)O)/C#N

InChI

InChI=1S/C21H16N2O3/c1-2-14-4-3-5-17-18(12-23-19(14)17)20(24)16(11-22)10-13-6-8-15(9-7-13)21(25)26/h3-10,12,23H,2H2,1H3,(H,25,26)/b16-10+