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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O5/c1-14(2)22-21(25)16-7-8-17(18(13-16)24(26)27)23(3)11-10-15-6-9-19(28-4)20(12-15)29-5/h6-9,12-14H,10-11H2,1-5H3,(H,22,25)