3,4,5-trimethoxy-2-nitro-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide

Systemtic Name: 3,4,5-trimethoxy-2-nitro-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide Openeye Name: 3,4,5-trimethoxy-2-nitro-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide CAS Name: 3,4,5-trimethoxy-2-nitro-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide IUPAC Name: 3,4,5-trimethoxy-2-nitro-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide Traditional Name: 3,4,5-trimethoxy-2-nitro-N-[4-(1,2,4-triazol-1-ylmethyl)benzyl]benzamide Formula: C20H21N5O6 MolecularWeight: 427.41064

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1)C(=O)NCC2=CC=C(C=C2)CN3C=NC=N3)[N+](=O)[O-])OC)OC

Isomeric SMILES

COC1=C(C(=C(C(=C1)C(=O)NCC2=CC=C(C=C2)CN3C=NC=N3)[N+](=O)[O-])OC)OC

InChI

InChI=1S/C20H21N5O6/c1-29-16-8-15(17(25(27)28)19(31-3)18(16)30-2)20(26)22-9-13-4-6-14(7-5-13)10-24-12-21-11-23-24/h4-8,11-12H,9-10H2,1-3H3,(H,22,26)