[2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 1H-pyrazole-5-carboxylate

Systemtic Name: [2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 1H-pyrazole-5-carboxylate Openeye Name: [2-(4-methyl-2-nitro-anilino)-2-oxo-ethyl] 1H-pyrazole-5-carboxylate CAS Name: 1H-pyrazole-5-carboxylic acid [2-(4-methyl-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-2-nitroanilino)-2-oxoethyl] 1H-pyrazole-5-carboxylate Traditional Name: 1H-pyrazole-5-carboxylic acid [2-keto-2-(4-methyl-2-nitro-anilino)ethyl] ester Formula: C13H12N4O5 MolecularWeight: 304.25818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)COC(=O)C2=CC=NN2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)COC(=O)C2=CC=NN2)[N+](=O)[O-]

InChI

InChI=1S/C13H12N4O5/c1-8-2-3-9(11(6-8)17(20)21)15-12(18)7-22-13(19)10-4-5-14-16-10/h2-6H,7H2,1H3,(H,14,16)(H,15,18)