4-[(Z)-2-cyano-3-(furan-2-ylmethylamino)-3-oxidanylidene-prop-1-enyl]benzoic acid

Systemtic Name: 4-[(Z)-2-cyano-3-(furan-2-ylmethylamino)-3-oxidanylidene-prop-1-enyl]benzoic acid Openeye Name: 4-[(Z)-2-cyano-3-(2-furylmethylamino)-3-oxo-prop-1-enyl]benzoic acid CAS Name: 4-[(Z)-2-cyano-3-(2-furanylmethylamino)-3-oxoprop-1-enyl]benzoic acid IUPAC Name: 4-[(Z)-2-cyano-3-(furan-2-ylmethylamino)-3-oxoprop-1-enyl]benzoic acid Traditional Name: 4-[(Z)-2-cyano-3-(2-furfurylamino)-3-keto-prop-1-enyl]benzoic acid Formula: C16H12N2O4 MolecularWeight: 296.27748

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CNC(=O)C(=CC2=CC=C(C=C2)C(=O)O)C#N

Isomeric SMILES

C1=COC(=C1)CNC(=O)/C(=C\C2=CC=C(C=C2)C(=O)O)/C#N

InChI

InChI=1S/C16H12N2O4/c17-9-13(15(19)18-10-14-2-1-7-22-14)8-11-3-5-12(6-4-11)16(20)21/h1-8H,10H2,(H,18,19)(H,20,21)/b13-8-