3-methyl-4-[(3-methyl-5-oxidanylidene-1,4-dihydropyrazol-4-yl)-(3-nitrophenyl)methyl]-1,4-dihydropyrazol-5-one

Systemtic Name: 3-methyl-4-[(3-methyl-5-oxidanylidene-1,4-dihydropyrazol-4-yl)-(3-nitrophenyl)methyl]-1,4-dihydropyrazol-5-one Openeye Name: 3-methyl-4-[(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)-(3-nitrophenyl)methyl]-1,4-dihydropyrazol-5-one CAS Name: 3-methyl-4-[(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)-(3-nitrophenyl)methyl]-1,4-dihydropyrazol-5-one IUPAC Name: 3-methyl-4-[(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)-(3-nitrophenyl)methyl]-1,4-dihydropyrazol-5-one Traditional Name: 4-[(3-keto-5-methyl-2-pyrazolin-4-yl)-(3-nitrophenyl)methyl]-5-methyl-2-pyrazolin-3-one Formula: C15H15N5O4 MolecularWeight: 329.3107

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NNC(=O)C1C(C2C(=NNC2=O)C)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=NNC(=O)C1C(C2C(=NNC2=O)C)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H15N5O4/c1-7-11(14(21)18-16-7)13(12-8(2)17-19-15(12)22)9-4-3-5-10(6-9)20(23)24/h3-6,11-13H,1-2H3,(H,18,21)(H,19,22)