N-[(3,4-dimethoxyphenyl)methyl]-2-[(2-methyl-1-oxidanyl-propan-2-yl)amino]-5-nitro-benzamide

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[(2-methyl-1-oxidanyl-propan-2-yl)amino]-5-nitro-benzamide Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[(2-hydroxy-1,1-dimethyl-ethyl)amino]-5-nitro-benzamide CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-5-nitrobenzamide IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-5-nitrobenzamide Traditional Name: 2-[(2-hydroxy-1,1-dimethyl-ethyl)amino]-5-nitro-N-veratryl-benzamide Formula: C20H25N3O6 MolecularWeight: 403.429

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CO)NC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NCC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC(C)(CO)NC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NCC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C20H25N3O6/c1-20(2,12-24)22-16-7-6-14(23(26)27)10-15(16)19(25)21-11-13-5-8-17(28-3)18(9-13)29-4/h5-10,22,24H,11-12H2,1-4H3,(H,21,25)