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

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-5-nitro-2-[(2-oxidanylcyclopentyl)amino]benzamide Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[(2-hydroxycyclopentyl)amino]-5-nitro-benzamide CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[(2-hydroxycyclopentyl)amino]-5-nitrobenzamide IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[(2-hydroxycyclopentyl)amino]-5-nitrobenzamide Traditional Name: 2-[(2-hydroxycyclopentyl)amino]-5-nitro-N-veratryl-benzamide Formula: C21H25N3O6 MolecularWeight: 415.4397

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NC3CCCC3O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NC3CCCC3O)OC

InChI

InChI=1S/C21H25N3O6/c1-29-19-9-6-13(10-20(19)30-2)12-22-21(26)15-11-14(24(27)28)7-8-16(15)23-17-4-3-5-18(17)25/h6-11,17-18,23,25H,3-5,12H2,1-2H3,(H,22,26)