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

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[[5-(hydroxymethyl)pyrrolidin-3-yl]amino]-5-nitro-benzamide Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[[5-(hydroxymethyl)pyrrolidin-3-yl]amino]-5-nitro-benzamide CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[[5-(hydroxymethyl)-3-pyrrolidinyl]amino]-5-nitrobenzamide IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[[5-(hydroxymethyl)pyrrolidin-3-yl]amino]-5-nitrobenzamide Traditional Name: 2-[(5-methylolpyrrolidin-3-yl)amino]-5-nitro-N-veratryl-benzamide Formula: C21H26N4O6 MolecularWeight: 430.45434

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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-])NC3CC(NC3)CO)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NC3CC(NC3)CO)OC

InChI

InChI=1S/C21H26N4O6/c1-30-19-6-3-13(7-20(19)31-2)10-23-21(27)17-9-16(25(28)29)4-5-18(17)24-14-8-15(12-26)22-11-14/h3-7,9,14-15,22,24,26H,8,10-12H2,1-2H3,(H,23,27)