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

Systemtic Name: 3-[5-[(E)-2-cyano-3-(methylamino)-3-oxidanylidene-prop-1-enyl]furan-2-yl]benzoic acid Openeye Name: 3-[5-[(E)-2-cyano-3-(methylamino)-3-oxo-prop-1-enyl]-2-furyl]benzoic acid CAS Name: 3-[5-[(E)-2-cyano-3-(methylamino)-3-oxoprop-1-enyl]-2-furanyl]benzoic acid IUPAC Name: 3-[5-[(E)-2-cyano-3-(methylamino)-3-oxoprop-1-enyl]furan-2-yl]benzoic acid Traditional Name: 3-[5-[(E)-2-cyano-3-keto-3-(methylamino)prop-1-enyl]-2-furyl]benzoic acid Formula: C16H12N2O4 MolecularWeight: 296.27748

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C(=CC1=CC=C(O1)C2=CC(=CC=C2)C(=O)O)C#N

Isomeric SMILES

CNC(=O)/C(=C/C1=CC=C(O1)C2=CC(=CC=C2)C(=O)O)/C#N

InChI

InChI=1S/C16H12N2O4/c1-18-15(19)12(9-17)8-13-5-6-14(22-13)10-3-2-4-11(7-10)16(20)21/h2-8H,1H3,(H,18,19)(H,20,21)/b12-8+