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

Systemtic Name: ethyl 3-[4,5-bis(chloranyl)-2-nitro-phenyl]-5-oxidanylidene-1,2-dihydropyrazole-4-carboxylate Openeye Name: ethyl 3-(4,5-dichloro-2-nitro-phenyl)-5-oxo-1,2-dihydropyrazole-4-carboxylate CAS Name: 3-(4,5-dichloro-2-nitrophenyl)-5-oxo-1,2-dihydropyrazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(4,5-dichloro-2-nitrophenyl)-5-oxo-1,2-dihydropyrazole-4-carboxylate Traditional Name: 3-(4,5-dichloro-2-nitro-phenyl)-5-keto-3-pyrazoline-4-carboxylic acid ethyl ester Formula: C12H9Cl2N3O5 MolecularWeight: 346.12296

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H9Cl2N3O5/c1-2-22-12(19)9-10(15-16-11(9)18)5-3-6(13)7(14)4-8(5)17(20)21/h3-4H,2H2,1H3,(H2,15,16,18)