[2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-oxidanylidene-ethanoate

Systemtic Name: [2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-oxidanylidene-ethanoate Openeye Name: [2-(4-methyl-2-nitro-anilino)-2-oxo-ethyl] 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-oxo-acetate CAS Name: 2-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-2-oxoacetic acid [2-(4-methyl-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-2-nitroanilino)-2-oxoethyl] 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetate Traditional Name: 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-keto-acetic acid [2-keto-2-(4-methyl-2-nitro-anilino)ethyl] ester Formula: C22H20N4O6 MolecularWeight: 436.4174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)COC(=O)C(=O)C2=C(N(N=C2C)C3=CC=CC=C3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)COC(=O)C(=O)C2=C(N(N=C2C)C3=CC=CC=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C22H20N4O6/c1-13-9-10-17(18(11-13)26(30)31)23-19(27)12-32-22(29)21(28)20-14(2)24-25(15(20)3)16-7-5-4-6-8-16/h4-11H,12H2,1-3H3,(H,23,27)