N-[(3,4-dimethoxyphenyl)methyl]-2-[hydroxymethyl(propyl)amino]-5-nitro-benzamide

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[hydroxymethyl(propyl)amino]-5-nitro-benzamide Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[hydroxymethyl(propyl)amino]-5-nitro-benzamide CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[hydroxymethyl(propyl)amino]-5-nitrobenzamide IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[hydroxymethyl(propyl)amino]-5-nitrobenzamide Traditional Name: 2-[methylol(propyl)amino]-5-nitro-N-veratryl-benzamide Formula: C20H25N3O6 MolecularWeight: 403.429

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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