methyl 5-(5-chloranyl-2-nitro-phenyl)carbonyl-2-ethyl-3,4-dihydropyrazole-3-carboxylate

Systemtic Name: methyl 5-(5-chloranyl-2-nitro-phenyl)carbonyl-2-ethyl-3,4-dihydropyrazole-3-carboxylate Openeye Name: methyl 5-(5-chloro-2-nitro-benzoyl)-2-ethyl-3,4-dihydropyrazole-3-carboxylate CAS Name: 5-[(5-chloro-2-nitrophenyl)-oxomethyl]-2-ethyl-3,4-dihydropyrazole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-(5-chloro-2-nitrobenzoyl)-2-ethyl-3,4-dihydropyrazole-3-carboxylate Traditional Name: 5-(5-chloro-2-nitro-benzoyl)-2-ethyl-2-pyrazoline-3-carboxylic acid methyl ester Formula: C14H14ClN3O5 MolecularWeight: 339.73106

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(CC(=N1)C(=O)C2=C(C=CC(=C2)Cl)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CCN1C(CC(=N1)C(=O)C2=C(C=CC(=C2)Cl)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C14H14ClN3O5/c1-3-17-12(14(20)23-2)7-10(16-17)13(19)9-6-8(15)4-5-11(9)18(21)22/h4-6,12H,3,7H2,1-2H3