3-[5-[(E)-(2-cyanoethanoylhydrazinylidene)methyl]furan-2-yl]-2-methyl-benzoic acid

Systemtic Name: 3-[5-[(E)-(2-cyanoethanoylhydrazinylidene)methyl]furan-2-yl]-2-methyl-benzoic acid Openeye Name: 3-[5-[(E)-[(2-cyanoacetyl)hydrazono]methyl]-2-furyl]-2-methyl-benzoic acid CAS Name: 3-[5-[(E)-[(2-cyano-1-oxoethyl)hydrazinylidene]methyl]-2-furanyl]-2-methylbenzoic acid IUPAC Name: 3-[5-[(E)-[(2-cyanoacetyl)hydrazinylidene]methyl]furan-2-yl]-2-methylbenzoic acid Traditional Name: 3-[5-[(E)-[(2-cyanoacetyl)hydrazono]methyl]-2-furyl]-2-methyl-benzoic acid Formula: C16H13N3O4 MolecularWeight: 311.29212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13N3O4/c1-10-12(3-2-4-13(10)16(21)22)14-6-5-11(23-14)9-18-19-15(20)7-8-17/h2-6,9H,7H2,1H3,(H,19,20)(H,21,22)/b18-9+