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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1C(=O)O)C2=CC=C(O2)C=C(C#N)C(=O)N

Isomeric SMILES

CC1=C(C=CC=C1C(=O)O)C2=CC=C(O2)/C=C(\C#N)/C(=O)N

InChI

InChI=1S/C16H12N2O4/c1-9-12(3-2-4-13(9)16(20)21)14-6-5-11(22-14)7-10(8-17)15(18)19/h2-7H,1H3,(H2,18,19)(H,20,21)/b10-7+