4-[5-[(E)-2-cyano-3-[(3-methoxyphenyl)amino]-3-oxidanylidene-prop-1-enyl]furan-2-yl]benzoic acid

Systemtic Name: 4-[5-[(E)-2-cyano-3-[(3-methoxyphenyl)amino]-3-oxidanylidene-prop-1-enyl]furan-2-yl]benzoic acid Openeye Name: 4-[5-[(E)-2-cyano-3-(3-methoxyanilino)-3-oxo-prop-1-enyl]-2-furyl]benzoic acid CAS Name: 4-[5-[(E)-2-cyano-3-(3-methoxyanilino)-3-oxoprop-1-enyl]-2-furanyl]benzoic acid IUPAC Name: 4-[5-[(E)-2-cyano-3-(3-methoxyanilino)-3-oxoprop-1-enyl]furan-2-yl]benzoic acid Traditional Name: 4-[5-[(E)-2-cyano-3-keto-3-(m-anisidino)prop-1-enyl]-2-furyl]benzoic acid Formula: C22H16N2O5 MolecularWeight: 388.37284

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)C(=CC2=CC=C(O2)C3=CC=C(C=C3)C(=O)O)C#N

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)/C(=C/C2=CC=C(O2)C3=CC=C(C=C3)C(=O)O)/C#N

InChI

InChI=1S/C22H16N2O5/c1-28-18-4-2-3-17(12-18)24-21(25)16(13-23)11-19-9-10-20(29-19)14-5-7-15(8-6-14)22(26)27/h2-12H,1H3,(H,24,25)(H,26,27)/b16-11+