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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dinitro-benzamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dinitro-benzamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dinitrobenzamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dinitrobenzamide Traditional Name: N-homoveratryl-2,4-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=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])OC

Isomeric SMILES

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

InChI

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