(4-methyl-2-oxidanyl-phenyl)-[4-(6-nitropyridin-3-yl)piperazin-1-yl]methanone

Systemtic Name: (4-methyl-2-oxidanyl-phenyl)-[4-(6-nitropyridin-3-yl)piperazin-1-yl]methanone Openeye Name: (2-hydroxy-4-methyl-phenyl)-[4-(6-nitro-3-pyridyl)piperazin-1-yl]methanone CAS Name: (2-hydroxy-4-methylphenyl)-[4-(6-nitro-3-pyridinyl)-1-piperazinyl]methanone IUPAC Name: (2-hydroxy-4-methylphenyl)-[4-(6-nitropyridin-3-yl)piperazin-1-yl]methanone Traditional Name: (2-hydroxy-4-methyl-phenyl)-[4-(6-nitro-3-pyridyl)piperazino]methanone Formula: C17H18N4O4 MolecularWeight: 342.34922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)N2CCN(CC2)C3=CN=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)N2CCN(CC2)C3=CN=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C17H18N4O4/c1-12-2-4-14(15(22)10-12)17(23)20-8-6-19(7-9-20)13-3-5-16(18-11-13)21(24)25/h2-5,10-11,22H,6-9H2,1H3