4-[[cyclopropyl-[3-(3-nitrophenoxy)-2-oxidanyl-propyl]amino]methyl]-N-methyl-benzamide

Systemtic Name: 4-[[cyclopropyl-[3-(3-nitrophenoxy)-2-oxidanyl-propyl]amino]methyl]-N-methyl-benzamide Openeye Name: 4-[[cyclopropyl-[2-hydroxy-3-(3-nitrophenoxy)propyl]amino]methyl]-N-methyl-benzamide CAS Name: 4-[[cyclopropyl-[2-hydroxy-3-(3-nitrophenoxy)propyl]amino]methyl]-N-methylbenzamide IUPAC Name: 4-[[cyclopropyl-[2-hydroxy-3-(3-nitrophenoxy)propyl]amino]methyl]-N-methylbenzamide Traditional Name: 4-[[cyclopropyl-[2-hydroxy-3-(3-nitrophenoxy)propyl]amino]methyl]-N-methyl-benzamide Formula: C21H25N3O5 MolecularWeight: 399.4403

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC=C(C=C1)CN(CC(COC2=CC=CC(=C2)[N+](=O)[O-])O)C3CC3

Isomeric SMILES

CNC(=O)C1=CC=C(C=C1)CN(CC(COC2=CC=CC(=C2)[N+](=O)[O-])O)C3CC3

InChI

InChI=1S/C21H25N3O5/c1-22-21(26)16-7-5-15(6-8-16)12-23(17-9-10-17)13-19(25)14-29-20-4-2-3-18(11-20)24(27)28/h2-8,11,17,19,25H,9-10,12-14H2,1H3,(H,22,26)