ethyl 3-chloranyl-2-(2-nitrophenyl)-4-oxidanylidene-3H-pyrazole-5-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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