N-[4-(4-heptoxyphenyl)-2-methyl-1-oxidanyl-butan-2-yl]-3,5-dinitro-benzamide

Systemtic Name: N-[4-(4-heptoxyphenyl)-2-methyl-1-oxidanyl-butan-2-yl]-3,5-dinitro-benzamide Openeye Name: N-[3-(4-heptoxyphenyl)-1-(hydroxymethyl)-1-methyl-propyl]-3,5-dinitro-benzamide CAS Name: N-[4-(4-heptoxyphenyl)-1-hydroxy-2-methylbutan-2-yl]-3,5-dinitrobenzamide IUPAC Name: N-[4-(4-heptoxyphenyl)-1-hydroxy-2-methylbutan-2-yl]-3,5-dinitrobenzamide Traditional Name: N-[3-(4-heptoxyphenyl)-1-methyl-1-methylol-propyl]-3,5-dinitro-benzamide Formula: C25H33N3O7 MolecularWeight: 487.54542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H33N3O7/c1-3-4-5-6-7-14-35-23-10-8-19(9-11-23)12-13-25(2,18-29)26-24(30)20-15-21(27(31)32)17-22(16-20)28(33)34/h8-11,15-17,29H,3-7,12-14,18H2,1-2H3,(H,26,30)