N-[(2-chlorophenyl)methyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide

Systemtic Name: N-[(2-chlorophenyl)methyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Openeye Name: N-[(2-chlorophenyl)methyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide CAS Name: N-[(2-chlorophenyl)methyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide IUPAC Name: N-[(2-chlorophenyl)methyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Traditional Name: N-(2-chlorobenzyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Formula: C16H12ClN5O3 MolecularWeight: 357.75118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12ClN5O3/c17-13-4-2-1-3-12(13)8-19-16(23)11-5-6-14(15(7-11)22(24)25)21-10-18-9-20-21/h1-7,9-10H,8H2,(H,19,23)