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

Systemtic Name: 2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-4-[(4-nitrophenyl)methyl]pyrazol-3-olate Openeye Name: 2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-4-[(4-nitrophenyl)methyl]pyrazol-3-olate CAS Name: 2-(4,6-dimethyl-2-pyrimidinyl)-5-methyl-4-[(4-nitrophenyl)methyl]-3-pyrazololate IUPAC Name: 2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-4-[(4-nitrophenyl)methyl]pyrazol-3-olate Traditional Name: 2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-4-(4-nitrobenzyl)pyrazol-3-olate Formula: C17H16N5O3- MolecularWeight: 338.34064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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