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

Systemtic Name: 3-[5-[(E)-2-cyano-3-oxidanylidene-3-phenylazanyl-prop-1-enyl]furan-2-yl]benzoic acid Openeye Name: 3-[5-[(E)-3-anilino-2-cyano-3-oxo-prop-1-enyl]-2-furyl]benzoic acid CAS Name: 3-[5-[(E)-3-anilino-2-cyano-3-oxoprop-1-enyl]-2-furanyl]benzoic acid IUPAC Name: 3-[5-[(E)-3-anilino-2-cyano-3-oxoprop-1-enyl]furan-2-yl]benzoic acid Traditional Name: 3-[5-[(E)-3-anilino-2-cyano-3-keto-prop-1-enyl]-2-furyl]benzoic acid Formula: C21H14N2O4 MolecularWeight: 358.34686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H14N2O4/c22-13-16(20(24)23-17-7-2-1-3-8-17)12-18-9-10-19(27-18)14-5-4-6-15(11-14)21(25)26/h1-12H,(H,23,24)(H,25,26)/b16-12+