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

Systemtic Name: [2-[(5-chloranyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-oxidanylidene-ethanoate Openeye Name: [2-(5-chloro-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-(5-chloro-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-chloro-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-(5-chloro-2-nitro-anilino)-2-keto-ethyl] ester Formula: C21H17ClN4O6 MolecularWeight: 456.83588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)C(=O)OCC(=O)NC3=C(C=CC(=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)C(=O)OCC(=O)NC3=C(C=CC(=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H17ClN4O6/c1-12-19(13(2)25(24-12)15-6-4-3-5-7-15)20(28)21(29)32-11-18(27)23-16-10-14(22)8-9-17(16)26(30)31/h3-10H,11H2,1-2H3,(H,23,27)