ethyl 3-(4-chloranyl-2-nitro-phenyl)-5-oxidanylidene-1,2-dihydropyrazole-4-carboxylate

Systemtic Name: ethyl 3-(4-chloranyl-2-nitro-phenyl)-5-oxidanylidene-1,2-dihydropyrazole-4-carboxylate Openeye Name: ethyl 3-(4-chloro-2-nitro-phenyl)-5-oxo-1,2-dihydropyrazole-4-carboxylate CAS Name: 3-(4-chloro-2-nitrophenyl)-5-oxo-1,2-dihydropyrazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-chloro-2-nitrophenyl)-5-oxo-1,2-dihydropyrazole-4-carboxylate Traditional Name: 3-(4-chloro-2-nitro-phenyl)-5-keto-3-pyrazoline-4-carboxylic acid ethyl ester Formula: C12H10ClN3O5 MolecularWeight: 311.6779

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NNC1=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(NNC1=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C12H10ClN3O5/c1-2-21-12(18)9-10(14-15-11(9)17)7-4-3-6(13)5-8(7)16(19)20/h3-5H,2H2,1H3,(H2,14,15,17)