[1-[(2-chloranyl-4-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 5-methyl-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: [1-[(2-chloranyl-4-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 5-methyl-1-phenyl-pyrazole-4-carboxylate Openeye Name: [2-(2-chloro-4-nitro-anilino)-1-methyl-2-oxo-ethyl] 5-methyl-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-methyl-1-phenyl-4-pyrazolecarboxylic acid [1-(2-chloro-4-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-chloro-4-nitroanilino)-1-oxopropan-2-yl] 5-methyl-1-phenylpyrazole-4-carboxylate Traditional Name: 5-methyl-1-phenyl-pyrazole-4-carboxylic acid [2-(2-chloro-4-nitro-anilino)-2-keto-1-methyl-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(=O)OC(C)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

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

InChI

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