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

Systemtic Name: N-[1-(4-heptoxyphenyl)-3-(hydroxymethyl)hexan-3-yl]-3,5-dinitro-benzamide Openeye Name: N-[1-[2-(4-heptoxyphenyl)ethyl]-1-(hydroxymethyl)butyl]-3,5-dinitro-benzamide CAS Name: N-[1-(4-heptoxyphenyl)-3-(hydroxymethyl)hexan-3-yl]-3,5-dinitrobenzamide IUPAC Name: N-[1-(4-heptoxyphenyl)-3-(hydroxymethyl)hexan-3-yl]-3,5-dinitrobenzamide Traditional Name: N-[1-[2-(4-heptoxyphenyl)ethyl]-1-methylol-butyl]-3,5-dinitro-benzamide Formula: C27H37N3O7 MolecularWeight: 515.59858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H37N3O7/c1-3-5-6-7-8-16-37-25-11-9-21(10-12-25)13-15-27(20-31,14-4-2)28-26(32)22-17-23(29(33)34)19-24(18-22)30(35)36/h9-12,17-19,31H,3-8,13-16,20H2,1-2H3,(H,28,32)