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

Systemtic Name: 3-nitro-4-(1,2,4-triazol-1-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide Openeye Name: 3-nitro-4-(1,2,4-triazol-1-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide CAS Name: 3-nitro-4-(1,2,4-triazol-1-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide IUPAC Name: 3-nitro-4-(1,2,4-triazol-1-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide Traditional Name: 3-nitro-4-(1,2,4-triazol-1-yl)-N-(2,4,5-trimethoxybenzyl)benzamide Formula: C19H19N5O6 MolecularWeight: 413.38406

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1CNC(=O)C2=CC(=C(C=C2)N3C=NC=N3)[N+](=O)[O-])OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1CNC(=O)C2=CC(=C(C=C2)N3C=NC=N3)[N+](=O)[O-])OC)OC

InChI

InChI=1S/C19H19N5O6/c1-28-16-8-18(30-3)17(29-2)7-13(16)9-21-19(25)12-4-5-14(15(6-12)24(26)27)23-11-20-10-22-23/h4-8,10-11H,9H2,1-3H3,(H,21,25)