ethyl 4-(4-chloranyl-2-nitro-phenyl)carbonyl-3-(phenylcarbonyl)-1H-pyrazole-5-carboxylate

Systemtic Name: ethyl 4-(4-chloranyl-2-nitro-phenyl)carbonyl-3-(phenylcarbonyl)-1H-pyrazole-5-carboxylate Openeye Name: ethyl 3-benzoyl-4-(4-chloro-2-nitro-benzoyl)-1H-pyrazole-5-carboxylate CAS Name: 3-benzoyl-4-[(4-chloro-2-nitrophenyl)-oxomethyl]-1H-pyrazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-benzoyl-4-(4-chloro-2-nitrobenzoyl)-1H-pyrazole-5-carboxylate Traditional Name: 3-benzoyl-4-(4-chloro-2-nitro-benzoyl)-1H-pyrazole-5-carboxylic acid ethyl ester Formula: C20H14ClN3O6 MolecularWeight: 427.79466

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=NN1)C(=O)C2=CC=CC=C2)C(=O)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(C(=NN1)C(=O)C2=CC=CC=C2)C(=O)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H14ClN3O6/c1-2-30-20(27)17-15(16(22-23-17)18(25)11-6-4-3-5-7-11)19(26)13-9-8-12(21)10-14(13)24(28)29/h3-10H,2H2,1H3,(H,22,23)