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

Systemtic Name: 2-[5-[(E)-2-cyano-3-oxidanylidene-3-[(phenylmethyl)amino]prop-1-enyl]furan-2-yl]benzoic acid Openeye Name: 2-[5-[(E)-3-(benzylamino)-2-cyano-3-oxo-prop-1-enyl]-2-furyl]benzoic acid CAS Name: 2-[5-[(E)-2-cyano-3-oxo-3-[(phenylmethyl)amino]prop-1-enyl]-2-furanyl]benzoic acid IUPAC Name: 2-[5-[(E)-3-(benzylamino)-2-cyano-3-oxoprop-1-enyl]furan-2-yl]benzoic acid Traditional Name: 2-[5-[(E)-3-(benzylamino)-2-cyano-3-keto-prop-1-enyl]-2-furyl]benzoic acid Formula: C22H16N2O4 MolecularWeight: 372.37344

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)C(=CC2=CC=C(O2)C3=CC=CC=C3C(=O)O)C#N

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)/C(=C/C2=CC=C(O2)C3=CC=CC=C3C(=O)O)/C#N

InChI

InChI=1S/C22H16N2O4/c23-13-16(21(25)24-14-15-6-2-1-3-7-15)12-17-10-11-20(28-17)18-8-4-5-9-19(18)22(26)27/h1-12H,14H2,(H,24,25)(H,26,27)/b16-12+