2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-4-[(3-nitrophenyl)methyl]-1H-pyrazol-3-one

Systemtic Name: 2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-4-[(3-nitrophenyl)methyl]-1H-pyrazol-3-one Openeye Name: 2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-4-[(3-nitrophenyl)methyl]-1H-pyrazol-3-one CAS Name: 2-(4,6-dimethyl-2-pyrimidinyl)-5-methyl-4-[(3-nitrophenyl)methyl]-1H-pyrazol-3-one IUPAC Name: 2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-4-[(3-nitrophenyl)methyl]-1H-pyrazol-3-one Traditional Name: 2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-4-(3-nitrobenzyl)-3-pyrazolin-3-one Formula: C17H17N5O3 MolecularWeight: 339.34858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C(=O)C(=C(N2)C)CC3=CC(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NC(=N1)N2C(=O)C(=C(N2)C)CC3=CC(=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C17H17N5O3/c1-10-7-11(2)19-17(18-10)21-16(23)15(12(3)20-21)9-13-5-4-6-14(8-13)22(24)25/h4-8,20H,9H2,1-3H3