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

Systemtic Name: 2-[5-[(E)-2-cyano-3-(methylamino)-3-oxidanylidene-prop-1-enyl]furan-2-yl]benzoic acid Openeye Name: 2-[5-[(E)-2-cyano-3-(methylamino)-3-oxo-prop-1-enyl]-2-furyl]benzoic acid CAS Name: 2-[5-[(E)-2-cyano-3-(methylamino)-3-oxoprop-1-enyl]-2-furanyl]benzoic acid IUPAC Name: 2-[5-[(E)-2-cyano-3-(methylamino)-3-oxoprop-1-enyl]furan-2-yl]benzoic acid Traditional Name: 2-[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=C2C(=O)O)C#N

Isomeric SMILES

CNC(=O)/C(=C/C1=CC=C(O1)C2=CC=CC=C2C(=O)O)/C#N

InChI

InChI=1S/C16H12N2O4/c1-18-15(19)10(9-17)8-11-6-7-14(22-11)12-4-2-3-5-13(12)16(20)21/h2-8H,1H3,(H,18,19)(H,20,21)/b10-8+