N-(3,5-dimethoxyphenyl)-5-nitro-2-[(phenylmethyl)amino]benzamide

Systemtic Name: N-(3,5-dimethoxyphenyl)-5-nitro-2-[(phenylmethyl)amino]benzamide Openeye Name: 2-(benzylamino)-N-(3,5-dimethoxyphenyl)-5-nitro-benzamide CAS Name: N-(3,5-dimethoxyphenyl)-5-nitro-2-[(phenylmethyl)amino]benzamide IUPAC Name: 2-(benzylamino)-N-(3,5-dimethoxyphenyl)-5-nitrobenzamide Traditional Name: 2-(benzylamino)-N-(3,5-dimethoxyphenyl)-5-nitro-benzamide Formula: C22H21N3O5 MolecularWeight: 407.41924

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCC3=CC=CC=C3)OC

Isomeric SMILES

COC1=CC(=CC(=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCC3=CC=CC=C3)OC

InChI

InChI=1S/C22H21N3O5/c1-29-18-10-16(11-19(13-18)30-2)24-22(26)20-12-17(25(27)28)8-9-21(20)23-14-15-6-4-3-5-7-15/h3-13,23H,14H2,1-2H3,(H,24,26)