3-(2,5-dimethyl-4-nitro-pyrazol-3-yl)carbonyl-2,4-dihydrophthalazin-1-one

Systemtic Name: 3-(2,5-dimethyl-4-nitro-pyrazol-3-yl)carbonyl-2,4-dihydrophthalazin-1-one Openeye Name: 3-(2,5-dimethyl-4-nitro-pyrazole-3-carbonyl)-2,4-dihydrophthalazin-1-one CAS Name: 3-[(2,5-dimethyl-4-nitro-3-pyrazolyl)-oxomethyl]-2,4-dihydrophthalazin-1-one IUPAC Name: 3-(2,5-dimethyl-4-nitropyrazole-3-carbonyl)-2,4-dihydrophthalazin-1-one Traditional Name: 3-(2,5-dimethyl-4-nitro-pyrazole-3-carbonyl)-2,4-dihydrophthalazin-1-one Formula: C14H13N5O4 MolecularWeight: 315.28412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1[N+](=O)[O-])C(=O)N2CC3=CC=CC=C3C(=O)N2)C

Isomeric SMILES

CC1=NN(C(=C1[N+](=O)[O-])C(=O)N2CC3=CC=CC=C3C(=O)N2)C

InChI

InChI=1S/C14H13N5O4/c1-8-11(19(22)23)12(17(2)15-8)14(21)18-7-9-5-3-4-6-10(9)13(20)16-18/h3-6H,7H2,1-2H3,(H,16,20)