5-methyl-4-[(4-methyl-3-nitro-phenyl)-(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)methyl]-1,2-dihydropyrazol-3-one

Systemtic Name: 5-methyl-4-[(4-methyl-3-nitro-phenyl)-(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)methyl]-1,2-dihydropyrazol-3-one Openeye Name: 5-methyl-4-[(4-methyl-3-nitro-phenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-1,2-dihydropyrazol-3-one CAS Name: 5-methyl-4-[(4-methyl-3-nitrophenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-1,2-dihydropyrazol-3-one IUPAC Name: 5-methyl-4-[(4-methyl-3-nitrophenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-1,2-dihydropyrazol-3-one Traditional Name: 4-[(3-keto-5-methyl-3-pyrazolin-4-yl)-(4-methyl-3-nitro-phenyl)methyl]-5-methyl-3-pyrazolin-3-one Formula: C16H17N5O4 MolecularWeight: 343.33728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C2=C(NNC2=O)C)C3=C(NNC3=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(C2=C(NNC2=O)C)C3=C(NNC3=O)C)[N+](=O)[O-]

InChI

InChI=1S/C16H17N5O4/c1-7-4-5-10(6-11(7)21(24)25)14(12-8(2)17-19-15(12)22)13-9(3)18-20-16(13)23/h4-6,14H,1-3H3,(H2,17,19,22)(H2,18,20,23)