methyl 3-(5-chloranyl-2-nitro-phenyl)carbonyl-4,5-dihydro-1H-pyrazole-5-carboxylate

Systemtic Name: methyl 3-(5-chloranyl-2-nitro-phenyl)carbonyl-4,5-dihydro-1H-pyrazole-5-carboxylate Openeye Name: methyl 3-(5-chloro-2-nitro-benzoyl)-4,5-dihydro-1H-pyrazole-5-carboxylate CAS Name: 3-[(5-chloro-2-nitrophenyl)-oxomethyl]-4,5-dihydro-1H-pyrazole-5-carboxylic acid methyl ester IUPAC Name: methyl 3-(5-chloro-2-nitrobenzoyl)-4,5-dihydro-1H-pyrazole-5-carboxylate Traditional Name: 5-(5-chloro-2-nitro-benzoyl)-2-pyrazoline-3-carboxylic acid methyl ester Formula: C12H10ClN3O5 MolecularWeight: 311.6779

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(=NN1)C(=O)C2=C(C=CC(=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1CC(=NN1)C(=O)C2=C(C=CC(=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C12H10ClN3O5/c1-21-12(18)9-5-8(14-15-9)11(17)7-4-6(13)2-3-10(7)16(19)20/h2-4,9,15H,5H2,1H3