N-[1-(4-heptoxyphenyl)-3-(hydroxymethyl)-5-oxidanyl-pentan-3-yl]-3,5-dinitro-benzamide

Systemtic Name: N-[1-(4-heptoxyphenyl)-3-(hydroxymethyl)-5-oxidanyl-pentan-3-yl]-3,5-dinitro-benzamide Openeye Name: N-[1-[2-(4-heptoxyphenyl)ethyl]-3-hydroxy-1-(hydroxymethyl)propyl]-3,5-dinitro-benzamide CAS Name: N-[1-(4-heptoxyphenyl)-5-hydroxy-3-(hydroxymethyl)pentan-3-yl]-3,5-dinitrobenzamide IUPAC Name: N-[1-(4-heptoxyphenyl)-5-hydroxy-3-(hydroxymethyl)pentan-3-yl]-3,5-dinitrobenzamide Traditional Name: N-[1-[2-(4-heptoxyphenyl)ethyl]-3-hydroxy-1-methylol-propyl]-3,5-dinitro-benzamide Formula: C26H35N3O8 MolecularWeight: 517.5714

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)CCC(CCO)(CO)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)CCC(CCO)(CO)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C26H35N3O8/c1-2-3-4-5-6-15-37-24-9-7-20(8-10-24)11-12-26(19-31,13-14-30)27-25(32)21-16-22(28(33)34)18-23(17-21)29(35)36/h7-10,16-18,30-31H,2-6,11-15,19H2,1H3,(H,27,32)