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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Traditional Name: N-homoveratryl-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Formula: C19H19N5O5 MolecularWeight: 397.38466

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C2=CC(=C(C=C2)N3C=NC=N3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2=CC(=C(C=C2)N3C=NC=N3)[N+](=O)[O-])OC

InChI

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