4-[(4-aminocarbonylphenyl)diazenyl]-3-methyl-5-oxidanylidene-4H-pyrazole-1-carboxylic acid

Systemtic Name: 4-[(4-aminocarbonylphenyl)diazenyl]-3-methyl-5-oxidanylidene-4H-pyrazole-1-carboxylic acid Openeye Name: 4-(4-carbamoylphenyl)azo-3-methyl-5-oxo-4H-pyrazole-1-carboxylic acid CAS Name: 4-(4-carbamoylphenyl)azo-3-methyl-5-oxo-4H-pyrazole-1-carboxylic acid IUPAC Name: 4-[(4-carbamoylphenyl)diazenyl]-3-methyl-5-oxo-4H-pyrazole-1-carboxylic acid Traditional Name: 4-(4-carbamoylphenyl)azo-5-keto-3-methyl-2-pyrazoline-1-carboxylic acid Formula: C12H11N5O4 MolecularWeight: 289.24684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1N=NC2=CC=C(C=C2)C(=O)N)C(=O)O

Isomeric SMILES

CC1=NN(C(=O)C1N=NC2=CC=C(C=C2)C(=O)N)C(=O)O

InChI

InChI=1S/C12H11N5O4/c1-6-9(11(19)17(16-6)12(20)21)15-14-8-4-2-7(3-5-8)10(13)18/h2-5,9H,1H3,(H2,13,18)(H,20,21)