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

Systemtic Name: 3-[3-[(E)-2-cyano-3-ethoxy-3-oxidanylidene-prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid Openeye Name: 3-[3-[(E)-2-cyano-3-ethoxy-3-oxo-prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid CAS Name: 3-[3-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-2,5-dimethyl-1-pyrrolyl]benzoic acid IUPAC Name: 3-[3-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-2,5-dimethylpyrrol-1-yl]benzoic acid Traditional Name: 3-[3-[(E)-2-cyano-3-ethoxy-3-keto-prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid Formula: C19H18N2O4 MolecularWeight: 338.35722

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=C(N(C(=C1)C)C2=CC=CC(=C2)C(=O)O)C)C#N

Isomeric SMILES

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

InChI

InChI=1S/C19H18N2O4/c1-4-25-19(24)16(11-20)9-15-8-12(2)21(13(15)3)17-7-5-6-14(10-17)18(22)23/h5-10H,4H2,1-3H3,(H,22,23)/b16-9+