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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-nitro-4-(1,2,4-triazol-1-yl)benzamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-nitro-4-(1,2,4-triazol-1-yl)benzamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Traditional Name: N-homoveratryl-N-methyl-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Formula: C20H21N5O5 MolecularWeight: 411.41124

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC(=C(C=C1)OC)OC)C(=O)C2=CC(=C(C=C2)N3C=NC=N3)[N+](=O)[O-]

Isomeric SMILES

CN(CCC1=CC(=C(C=C1)OC)OC)C(=O)C2=CC(=C(C=C2)N3C=NC=N3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O5/c1-23(9-8-14-4-7-18(29-2)19(10-14)30-3)20(26)15-5-6-16(17(11-15)25(27)28)24-13-21-12-22-24/h4-7,10-13H,8-9H2,1-3H3