4-nitro-3-oxidanyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide

Systemtic Name: 4-nitro-3-oxidanyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide Openeye Name: 3-hydroxy-4-nitro-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide CAS Name: 3-hydroxy-4-nitro-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide IUPAC Name: 3-hydroxy-4-nitro-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide Traditional Name: 3-hydroxy-4-nitro-N-[4-(1,2,4-triazol-1-ylmethyl)benzyl]benzamide Formula: C17H15N5O4 MolecularWeight: 353.3321

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=O)C2=CC(=C(C=C2)[N+](=O)[O-])O)CN3C=NC=N3

Isomeric SMILES

C1=CC(=CC=C1CNC(=O)C2=CC(=C(C=C2)[N+](=O)[O-])O)CN3C=NC=N3

InChI

InChI=1S/C17H15N5O4/c23-16-7-14(5-6-15(16)22(25)26)17(24)19-8-12-1-3-13(4-2-12)9-21-11-18-10-20-21/h1-7,10-11,23H,8-9H2,(H,19,24)