4-[(2-chlorophenyl)methylamino]-N-(3,4-dimethoxyphenyl)-3-nitro-benzamide

Systemtic Name: 4-[(2-chlorophenyl)methylamino]-N-(3,4-dimethoxyphenyl)-3-nitro-benzamide Openeye Name: 4-[(2-chlorophenyl)methylamino]-N-(3,4-dimethoxyphenyl)-3-nitro-benzamide CAS Name: 4-[(2-chlorophenyl)methylamino]-N-(3,4-dimethoxyphenyl)-3-nitrobenzamide IUPAC Name: 4-[(2-chlorophenyl)methylamino]-N-(3,4-dimethoxyphenyl)-3-nitrobenzamide Traditional Name: 4-[(2-chlorobenzyl)amino]-N-(3,4-dimethoxyphenyl)-3-nitro-benzamide Formula: C22H20ClN3O5 MolecularWeight: 441.8643

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)NCC3=CC=CC=C3Cl)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)NCC3=CC=CC=C3Cl)[N+](=O)[O-])OC

InChI

InChI=1S/C22H20ClN3O5/c1-30-20-10-8-16(12-21(20)31-2)25-22(27)14-7-9-18(19(11-14)26(28)29)24-13-15-5-3-4-6-17(15)23/h3-12,24H,13H2,1-2H3,(H,25,27)