[2-[(2-methyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 1-(3-chlorophenyl)-5-ethyl-pyrazole-4-carboxylate

Systemtic Name: [2-[(2-methyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 1-(3-chlorophenyl)-5-ethyl-pyrazole-4-carboxylate Openeye Name: [2-(2-methyl-6-nitro-anilino)-2-oxo-ethyl] 1-(3-chlorophenyl)-5-ethyl-pyrazole-4-carboxylate CAS Name: 1-(3-chlorophenyl)-5-ethyl-4-pyrazolecarboxylic acid [2-(2-methyl-6-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-6-nitroanilino)-2-oxoethyl] 1-(3-chlorophenyl)-5-ethylpyrazole-4-carboxylate Traditional Name: 1-(3-chlorophenyl)-5-ethyl-pyrazole-4-carboxylic acid [2-keto-2-(2-methyl-6-nitro-anilino)ethyl] ester Formula: C21H19ClN4O5 MolecularWeight: 442.85236

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=NN1C2=CC(=CC=C2)Cl)C(=O)OCC(=O)NC3=C(C=CC=C3[N+](=O)[O-])C

Isomeric SMILES

CCC1=C(C=NN1C2=CC(=CC=C2)Cl)C(=O)OCC(=O)NC3=C(C=CC=C3[N+](=O)[O-])C

InChI

InChI=1S/C21H19ClN4O5/c1-3-17-16(11-23-25(17)15-8-5-7-14(22)10-15)21(28)31-12-19(27)24-20-13(2)6-4-9-18(20)26(29)30/h4-11H,3,12H2,1-2H3,(H,24,27)