4-(5-methylpyrazol-1-yl)-N-[(5-nitro-2-oxidanyl-phenyl)methyl]benzamide

Systemtic Name: 4-(5-methylpyrazol-1-yl)-N-[(5-nitro-2-oxidanyl-phenyl)methyl]benzamide Openeye Name: N-[(2-hydroxy-5-nitro-phenyl)methyl]-4-(5-methylpyrazol-1-yl)benzamide CAS Name: N-[(2-hydroxy-5-nitrophenyl)methyl]-4-(5-methyl-1-pyrazolyl)benzamide IUPAC Name: N-[(2-hydroxy-5-nitrophenyl)methyl]-4-(5-methylpyrazol-1-yl)benzamide Traditional Name: N-(2-hydroxy-5-nitro-benzyl)-4-(5-methylpyrazol-1-yl)benzamide Formula: C18H16N4O4 MolecularWeight: 352.34404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=NN1C2=CC=C(C=C2)C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])O

Isomeric SMILES

CC1=CC=NN1C2=CC=C(C=C2)C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])O

InChI

InChI=1S/C18H16N4O4/c1-12-8-9-20-21(12)15-4-2-13(3-5-15)18(24)19-11-14-10-16(22(25)26)6-7-17(14)23/h2-10,23H,11H2,1H3,(H,19,24)