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

Systemtic Name: 4,5-dimethoxy-2-nitro-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide Openeye Name: 4,5-dimethoxy-2-nitro-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide CAS Name: 4,5-dimethoxy-2-nitro-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide IUPAC Name: 4,5-dimethoxy-2-nitro-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide Traditional Name: 4,5-dimethoxy-2-nitro-N-[2-(1,2,4-triazol-1-ylmethyl)benzyl]benzamide Formula: C19H19N5O5 MolecularWeight: 397.38466

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)NCC2=CC=CC=C2CN3C=NC=N3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)NCC2=CC=CC=C2CN3C=NC=N3)[N+](=O)[O-])OC

InChI

InChI=1S/C19H19N5O5/c1-28-17-7-15(16(24(26)27)8-18(17)29-2)19(25)21-9-13-5-3-4-6-14(13)10-23-12-20-11-22-23/h3-8,11-12H,9-10H2,1-2H3,(H,21,25)