[1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)benzoate

Systemtic Name: [1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)benzoate Openeye Name: [1-methyl-2-(2-nitroanilino)-2-oxo-ethyl] 4-(4-chloro-3,5-dimethyl-pyrazol-1-yl)benzoate CAS Name: 4-(4-chloro-3,5-dimethyl-1-pyrazolyl)benzoic acid [1-(2-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-nitroanilino)-1-oxopropan-2-yl] 4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoate Traditional Name: 4-(4-chloro-3,5-dimethyl-pyrazol-1-yl)benzoic acid [2-keto-1-methyl-2-(2-nitroanilino)ethyl] ester Formula: C21H19ClN4O5 MolecularWeight: 442.85236

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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