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

Systemtic Name: N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide Openeye Name: N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide CAS Name: N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide IUPAC Name: N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide Traditional Name: N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide Formula: C20H21N5O5 MolecularWeight: 411.41124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5O5/c1-29-18-9-16(17(25(27)28)10-19(18)30-2)7-8-22-20(26)15-5-3-14(4-6-15)11-24-13-21-12-23-24/h3-6,9-10,12-13H,7-8,11H2,1-2H3,(H,22,26)