N-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-2-oxidanyl-benzamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-2-oxidanyl-benzamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-hydroxy-5-nitro-benzamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-hydroxy-5-nitrobenzamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-hydroxy-5-nitrobenzamide Traditional Name: N-homoveratryl-2-hydroxy-5-nitro-benzamide Formula: C17H18N2O6 MolecularWeight: 346.33462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O6/c1-24-15-6-3-11(9-16(15)25-2)7-8-18-17(21)13-10-12(19(22)23)4-5-14(13)20/h3-6,9-10,20H,7-8H2,1-2H3,(H,18,21)