N-[3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]propyl]-4-nitro-benzamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCNC(=O)C1=CC=C(C=C1)[N+](=O)[O-])CCC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CN(CCCNC(=O)C1=CC=C(C=C1)[N+](=O)[O-])CCC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C21H27N3O5/c1-23(14-11-16-5-10-19(28-2)20(15-16)29-3)13-4-12-22-21(25)17-6-8-18(9-7-17)24(26)27/h5-10,15H,4,11-14H2,1-3H3,(H,22,25)