2-nitro-3-[[4-(1-oxidanylpentyl)phenyl]methyl]benzamide

Systemtic Name: 2-nitro-3-[[4-(1-oxidanylpentyl)phenyl]methyl]benzamide Openeye Name: 3-[[4-(1-hydroxypentyl)phenyl]methyl]-2-nitro-benzamide CAS Name: 3-[[4-(1-hydroxypentyl)phenyl]methyl]-2-nitrobenzamide IUPAC Name: 3-[[4-(1-hydroxypentyl)phenyl]methyl]-2-nitrobenzamide Traditional Name: 3-[4-(1-hydroxypentyl)benzyl]-2-nitro-benzamide Formula: C19H22N2O4 MolecularWeight: 342.38898

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=CC=C(C=C1)CC2=CC=CC(=C2[N+](=O)[O-])C(=O)N)O

Isomeric SMILES

CCCCC(C1=CC=C(C=C1)CC2=CC=CC(=C2[N+](=O)[O-])C(=O)N)O

InChI

InChI=1S/C19H22N2O4/c1-2-3-7-17(22)14-10-8-13(9-11-14)12-15-5-4-6-16(19(20)23)18(15)21(24)25/h4-6,8-11,17,22H,2-3,7,12H2,1H3,(H2,20,23)