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

Systemtic Name: 2-nitro-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide Openeye Name: 2-nitro-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide CAS Name: 2-nitro-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide IUPAC Name: 2-nitro-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide Traditional Name: 2-nitro-N-[4-(1,2,4-triazol-1-ylmethyl)benzyl]benzamide Formula: C17H15N5O3 MolecularWeight: 337.3327

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NCC2=CC=C(C=C2)CN3C=NC=N3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NCC2=CC=C(C=C2)CN3C=NC=N3)[N+](=O)[O-]

InChI

InChI=1S/C17H15N5O3/c23-17(15-3-1-2-4-16(15)22(24)25)19-9-13-5-7-14(8-6-13)10-21-12-18-11-20-21/h1-8,11-12H,9-10H2,(H,19,23)