3-[3-[(E)-2-cyano-3-oxidanylidene-3-phenyl-prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid

Systemtic Name: 3-[3-[(E)-2-cyano-3-oxidanylidene-3-phenyl-prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid Openeye Name: 3-[3-[(E)-2-cyano-3-oxo-3-phenyl-prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid CAS Name: 3-[3-[(E)-2-cyano-3-oxo-3-phenylprop-1-enyl]-2,5-dimethyl-1-pyrrolyl]benzoic acid IUPAC Name: 3-[3-[(E)-2-cyano-3-oxo-3-phenylprop-1-enyl]-2,5-dimethylpyrrol-1-yl]benzoic acid Traditional Name: 3-[3-[(E)-2-cyano-3-keto-3-phenyl-prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid Formula: C23H18N2O3 MolecularWeight: 370.40062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC(=C2)C(=O)O)C)C=C(C#N)C(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC(=C2)C(=O)O)C)/C=C(\C#N)/C(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H18N2O3/c1-15-11-19(12-20(14-24)22(26)17-7-4-3-5-8-17)16(2)25(15)21-10-6-9-18(13-21)23(27)28/h3-13H,1-2H3,(H,27,28)/b20-12+