methyl 3-azanyl-1-(4-chloranyl-3-nitro-phenyl)carbonyl-pyrazole-4-carboxylate

Systemtic Name: methyl 3-azanyl-1-(4-chloranyl-3-nitro-phenyl)carbonyl-pyrazole-4-carboxylate Openeye Name: methyl 3-amino-1-(4-chloro-3-nitro-benzoyl)pyrazole-4-carboxylate CAS Name: 3-amino-1-[(4-chloro-3-nitrophenyl)-oxomethyl]-4-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 3-amino-1-(4-chloro-3-nitrobenzoyl)pyrazole-4-carboxylate Traditional Name: 3-amino-1-(4-chloro-3-nitro-benzoyl)pyrazole-4-carboxylic acid methyl ester Formula: C12H9ClN4O5 MolecularWeight: 324.67666

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(N=C1N)C(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CN(N=C1N)C(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C12H9ClN4O5/c1-22-12(19)7-5-16(15-10(7)14)11(18)6-2-3-8(13)9(4-6)17(20)21/h2-5H,1H3,(H2,14,15)