N-[(3,4-dimethoxyphenyl)methyl]-2-[(1-formamido-3-oxidanyl-propan-2-yl)amino]-5-nitro-benzamide

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[(1-formamido-3-oxidanyl-propan-2-yl)amino]-5-nitro-benzamide Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[[1-(formamidomethyl)-2-hydroxy-ethyl]amino]-5-nitro-benzamide CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[(1-formamido-3-hydroxypropan-2-yl)amino]-5-nitrobenzamide IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[(1-formamido-3-hydroxypropan-2-yl)amino]-5-nitrobenzamide Traditional Name: 2-[[1-(formamidomethyl)-2-hydroxy-ethyl]amino]-5-nitro-N-veratryl-benzamide Formula: C20H24N4O7 MolecularWeight: 432.42716

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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-])NC(CNC=O)CO)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4O7/c1-30-18-6-3-13(7-19(18)31-2)9-22-20(27)16-8-15(24(28)29)4-5-17(16)23-14(11-25)10-21-12-26/h3-8,12,14,23,25H,9-11H2,1-2H3,(H,21,26)(H,22,27)