2-[(E)-[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)hydrazinylidene]methyl]benzoic acid

Systemtic Name: 2-[(E)-[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)hydrazinylidene]methyl]benzoic acid Openeye Name: 2-[(E)-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)hydrazono]methyl]benzoic acid CAS Name: 2-[(E)-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)hydrazinylidene]methyl]benzoic acid IUPAC Name: 2-[(E)-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)hydrazinylidene]methyl]benzoic acid Traditional Name: 2-[(E)-[(4-keto-6-methyl-1H-pyrimidin-2-yl)hydrazono]methyl]benzoic acid Formula: C13H12N4O3 MolecularWeight: 272.25938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)NN=CC2=CC=CC=C2C(=O)O

Isomeric SMILES

CC1=CC(=O)N=C(N1)N/N=C/C2=CC=CC=C2C(=O)O

InChI

InChI=1S/C13H12N4O3/c1-8-6-11(18)16-13(15-8)17-14-7-9-4-2-3-5-10(9)12(19)20/h2-7H,1H3,(H,19,20)(H2,15,16,17,18)/b14-7+