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

Systemtic Name: ethyl 3-(4,5-dimethyl-2-nitro-phenyl)-5-oxidanylidene-1,2-dihydropyrazole-4-carboxylate Openeye Name: ethyl 3-(4,5-dimethyl-2-nitro-phenyl)-5-oxo-1,2-dihydropyrazole-4-carboxylate CAS Name: 3-(4,5-dimethyl-2-nitrophenyl)-5-oxo-1,2-dihydropyrazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(4,5-dimethyl-2-nitrophenyl)-5-oxo-1,2-dihydropyrazole-4-carboxylate Traditional Name: 3-(4,5-dimethyl-2-nitro-phenyl)-5-keto-3-pyrazoline-4-carboxylic acid ethyl ester Formula: C14H15N3O5 MolecularWeight: 305.286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15N3O5/c1-4-22-14(19)11-12(15-16-13(11)18)9-5-7(2)8(3)6-10(9)17(20)21/h5-6H,4H2,1-3H3,(H2,15,16,18)