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

Systemtic Name: 5-[2-(3,4-dimethoxyphenyl)ethyl]-3-(methylamino)-4-nitro-2-propyl-benzamide Openeye Name: 5-[2-(3,4-dimethoxyphenyl)ethyl]-3-(methylamino)-4-nitro-2-propyl-benzamide CAS Name: 5-[2-(3,4-dimethoxyphenyl)ethyl]-3-(methylamino)-4-nitro-2-propylbenzamide IUPAC Name: 5-[2-(3,4-dimethoxyphenyl)ethyl]-3-(methylamino)-4-nitro-2-propylbenzamide Traditional Name: 5-homoveratryl-3-(methylamino)-4-nitro-2-propyl-benzamide Formula: C21H27N3O5 MolecularWeight: 401.45618

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O5/c1-5-6-15-16(21(22)25)12-14(20(24(26)27)19(15)23-2)9-7-13-8-10-17(28-3)18(11-13)29-4/h8,10-12,23H,5-7,9H2,1-4H3,(H2,22,25)