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

Systemtic Name: 3-[5-[(E)-2-cyano-3-[(3-ethoxyphenyl)amino]-3-oxidanylidene-prop-1-enyl]furan-2-yl]benzoic acid Openeye Name: 3-[5-[(E)-2-cyano-3-(3-ethoxyanilino)-3-oxo-prop-1-enyl]-2-furyl]benzoic acid CAS Name: 3-[5-[(E)-2-cyano-3-(3-ethoxyanilino)-3-oxoprop-1-enyl]-2-furanyl]benzoic acid IUPAC Name: 3-[5-[(E)-2-cyano-3-(3-ethoxyanilino)-3-oxoprop-1-enyl]furan-2-yl]benzoic acid Traditional Name: 3-[5-[(E)-2-cyano-3-keto-3-(m-phenetidino)prop-1-enyl]-2-furyl]benzoic acid Formula: C23H18N2O5 MolecularWeight: 402.39942

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)NC(=O)C(=CC2=CC=C(O2)C3=CC(=CC=C3)C(=O)O)C#N

Isomeric SMILES

CCOC1=CC=CC(=C1)NC(=O)/C(=C/C2=CC=C(O2)C3=CC(=CC=C3)C(=O)O)/C#N

InChI

InChI=1S/C23H18N2O5/c1-2-29-19-8-4-7-18(13-19)25-22(26)17(14-24)12-20-9-10-21(30-20)15-5-3-6-16(11-15)23(27)28/h3-13H,2H2,1H3,(H,25,26)(H,27,28)/b17-12+