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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3,5-dinitro-benzamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3,5-dinitro-benzamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3,5-dinitrobenzamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3,5-dinitrobenzamide Traditional Name: N-homoveratryl-3,5-dinitro-benzamide Formula: C17H17N3O7 MolecularWeight: 375.33278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O7/c1-26-15-4-3-11(7-16(15)27-2)5-6-18-17(21)12-8-13(19(22)23)10-14(9-12)20(24)25/h3-4,7-10H,5-6H2,1-2H3,(H,18,21)