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

Systemtic Name: 4-[(E)-2-cyano-3-(2-methyl-1H-indol-3-yl)-3-oxidanylidene-prop-1-enyl]benzoic acid Openeye Name: 4-[(E)-2-cyano-3-(2-methyl-1H-indol-3-yl)-3-oxo-prop-1-enyl]benzoic acid CAS Name: 4-[(E)-2-cyano-3-(2-methyl-1H-indol-3-yl)-3-oxoprop-1-enyl]benzoic acid IUPAC Name: 4-[(E)-2-cyano-3-(2-methyl-1H-indol-3-yl)-3-oxoprop-1-enyl]benzoic acid Traditional Name: 4-[(E)-2-cyano-3-keto-3-(2-methyl-1H-indol-3-yl)prop-1-enyl]benzoic acid Formula: C20H14N2O3 MolecularWeight: 330.33676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(=O)C(=CC3=CC=C(C=C3)C(=O)O)C#N

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C(=O)/C(=C/C3=CC=C(C=C3)C(=O)O)/C#N

InChI

InChI=1S/C20H14N2O3/c1-12-18(16-4-2-3-5-17(16)22-12)19(23)15(11-21)10-13-6-8-14(9-7-13)20(24)25/h2-10,22H,1H3,(H,24,25)/b15-10+