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

Systemtic Name: N-[(5-nitro-2-oxidanyl-phenyl)methyl]-4-(1,2,4-triazol-1-yl)benzamide Openeye Name: N-[(2-hydroxy-5-nitro-phenyl)methyl]-4-(1,2,4-triazol-1-yl)benzamide CAS Name: N-[(2-hydroxy-5-nitrophenyl)methyl]-4-(1,2,4-triazol-1-yl)benzamide IUPAC Name: N-[(2-hydroxy-5-nitrophenyl)methyl]-4-(1,2,4-triazol-1-yl)benzamide Traditional Name: N-(2-hydroxy-5-nitro-benzyl)-4-(1,2,4-triazol-1-yl)benzamide Formula: C16H13N5O4 MolecularWeight: 339.30552

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])O)N3C=NC=N3

Isomeric SMILES

C1=CC(=CC=C1C(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])O)N3C=NC=N3

InChI

InChI=1S/C16H13N5O4/c22-15-6-5-14(21(24)25)7-12(15)8-18-16(23)11-1-3-13(4-2-11)20-10-17-9-19-20/h1-7,9-10,22H,8H2,(H,18,23)