2-[2-(3,4-dimethoxyphenyl)ethyl]-4-(methylamino)-3,5-dinitro-6-propyl-benzamide

Systemtic Name: 2-[2-(3,4-dimethoxyphenyl)ethyl]-4-(methylamino)-3,5-dinitro-6-propyl-benzamide Openeye Name: 2-[2-(3,4-dimethoxyphenyl)ethyl]-4-(methylamino)-3,5-dinitro-6-propyl-benzamide CAS Name: 2-[2-(3,4-dimethoxyphenyl)ethyl]-4-(methylamino)-3,5-dinitro-6-propylbenzamide IUPAC Name: 2-[2-(3,4-dimethoxyphenyl)ethyl]-4-(methylamino)-3,5-dinitro-6-propylbenzamide Traditional Name: 2-homoveratryl-4-(methylamino)-3,5-dinitro-6-propyl-benzamide Formula: C21H26N4O7 MolecularWeight: 446.45374

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=C(C(=C1C(=O)N)CCC2=CC(=C(C=C2)OC)OC)[N+](=O)[O-])NC)[N+](=O)[O-]

Isomeric SMILES

CCCC1=C(C(=C(C(=C1C(=O)N)CCC2=CC(=C(C=C2)OC)OC)[N+](=O)[O-])NC)[N+](=O)[O-]

InChI

InChI=1S/C21H26N4O7/c1-5-6-13-17(21(22)26)14(20(25(29)30)18(23-2)19(13)24(27)28)9-7-12-8-10-15(31-3)16(11-12)32-4/h8,10-11,23H,5-7,9H2,1-4H3,(H2,22,26)