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

Systemtic Name: 3-(4,5-dimethyl-2-nitro-phenyl)-5-oxidanylidene-1,2-dihydropyrazole-4-carboxylate Openeye Name: 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-carboxylate IUPAC Name: 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-carboxylate Formula: C12H10N3O5- MolecularWeight: 276.2249

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)C2=C(C(=O)NN2)C(=O)[O-])[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C(=C1)C2=C(C(=O)NN2)C(=O)[O-])[N+](=O)[O-])C

InChI

InChI=1S/C12H11N3O5/c1-5-3-7(8(15(19)20)4-6(5)2)10-9(12(17)18)11(16)14-13-10/h3-4H,1-2H3,(H,17,18)(H2,13,14,16)/p-1