[2-[(4-chloranyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: [2-[(4-chloranyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylate Openeye Name: [2-(4-chloro-3-nitro-anilino)-2-oxo-ethyl] 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylate CAS Name: 3,5-dimethyl-1-phenyl-4-pyrazolecarboxylic acid [2-(4-chloro-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-chloro-3-nitroanilino)-2-oxoethyl] 3,5-dimethyl-1-phenylpyrazole-4-carboxylate Traditional Name: 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylic acid [2-(4-chloro-3-nitro-anilino)-2-keto-ethyl] ester Formula: C20H17ClN4O5 MolecularWeight: 428.82578

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17ClN4O5/c1-12-19(13(2)24(23-12)15-6-4-3-5-7-15)20(27)30-11-18(26)22-14-8-9-16(21)17(10-14)25(28)29/h3-10H,11H2,1-2H3,(H,22,26)