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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-nitro-1,2,4-triazol-1-yl)ethanamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-nitro-1,2,4-triazol-1-yl)acetamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-nitro-1,2,4-triazol-1-yl)acetamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-nitro-1,2,4-triazol-1-yl)acetamide Traditional Name: N-homoveratryl-2-(3-nitro-1,2,4-triazol-1-yl)acetamide Formula: C14H17N5O5 MolecularWeight: 335.31528

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)CN2C=NC(=N2)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)CN2C=NC(=N2)[N+](=O)[O-])OC

InChI

InChI=1S/C14H17N5O5/c1-23-11-4-3-10(7-12(11)24-2)5-6-15-13(20)8-18-9-16-14(17-18)19(21)22/h3-4,7,9H,5-6,8H2,1-2H3,(H,15,20)