3-[2-[(E)-2-cyano-3-(2-methoxyethoxy)-3-oxidanylidene-prop-1-enyl]pyrrol-1-yl]benzoic acid

Systemtic Name: 3-[2-[(E)-2-cyano-3-(2-methoxyethoxy)-3-oxidanylidene-prop-1-enyl]pyrrol-1-yl]benzoic acid Openeye Name: 3-[2-[(E)-2-cyano-3-(2-methoxyethoxy)-3-oxo-prop-1-enyl]pyrrol-1-yl]benzoic acid CAS Name: 3-[2-[(E)-2-cyano-3-(2-methoxyethoxy)-3-oxoprop-1-enyl]-1-pyrrolyl]benzoic acid IUPAC Name: 3-[2-[(E)-2-cyano-3-(2-methoxyethoxy)-3-oxoprop-1-enyl]pyrrol-1-yl]benzoic acid Traditional Name: 3-[2-[(E)-2-cyano-3-keto-3-(2-methoxyethoxy)prop-1-enyl]pyrrol-1-yl]benzoic acid Formula: C18H16N2O5 MolecularWeight: 340.33004

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC(=O)C(=CC1=CC=CN1C2=CC=CC(=C2)C(=O)O)C#N

Isomeric SMILES

COCCOC(=O)/C(=C/C1=CC=CN1C2=CC=CC(=C2)C(=O)O)/C#N

InChI

InChI=1S/C18H16N2O5/c1-24-8-9-25-18(23)14(12-19)11-16-6-3-7-20(16)15-5-2-4-13(10-15)17(21)22/h2-7,10-11H,8-9H2,1H3,(H,21,22)/b14-11+