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

Systemtic Name: 4-[(E)-2-cyano-3-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-3-oxidanylidene-prop-1-enyl]benzoic acid Openeye Name: 4-[(E)-3-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-cyano-3-oxo-prop-1-enyl]benzoic acid CAS Name: 4-[(E)-2-cyano-3-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-3-oxoprop-1-enyl]benzoic acid IUPAC Name: 4-[(E)-2-cyano-3-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-3-oxoprop-1-enyl]benzoic acid Traditional Name: 4-[(E)-3-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-cyano-3-keto-prop-1-enyl]benzoic acid Formula: C20H18N2O3 MolecularWeight: 334.36852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC=C)C)C(=O)C(=CC2=CC=C(C=C2)C(=O)O)C#N

Isomeric SMILES

CC1=CC(=C(N1CC=C)C)C(=O)/C(=C/C2=CC=C(C=C2)C(=O)O)/C#N

InChI

InChI=1S/C20H18N2O3/c1-4-9-22-13(2)10-18(14(22)3)19(23)17(12-21)11-15-5-7-16(8-6-15)20(24)25/h4-8,10-11H,1,9H2,2-3H3,(H,24,25)/b17-11+