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

Systemtic Name: 2-(6-methylpyridin-2-yl)-5-[(2-nitrophenyl)methyl]-1H-pyrazol-3-one Openeye Name: 2-(6-methyl-2-pyridyl)-5-[(2-nitrophenyl)methyl]-1H-pyrazol-3-one CAS Name: 2-(6-methyl-2-pyridinyl)-5-[(2-nitrophenyl)methyl]-1H-pyrazol-3-one IUPAC Name: 2-(6-methylpyridin-2-yl)-5-[(2-nitrophenyl)methyl]-1H-pyrazol-3-one Traditional Name: 2-(6-methyl-2-pyridyl)-5-(2-nitrobenzyl)-3-pyrazolin-3-one Formula: C16H14N4O3 MolecularWeight: 310.30736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)N2C(=O)C=C(N2)CC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=CC=C1)N2C(=O)C=C(N2)CC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C16H14N4O3/c1-11-5-4-8-15(17-11)19-16(21)10-13(18-19)9-12-6-2-3-7-14(12)20(22)23/h2-8,10,18H,9H2,1H3