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

Systemtic Name: N-[3-(hydroxymethyl)-1-[4-(4-phenylbutoxy)phenyl]pentan-3-yl]-3,5-dinitro-benzamide Openeye Name: N-[1-ethyl-1-(hydroxymethyl)-3-[4-(4-phenylbutoxy)phenyl]propyl]-3,5-dinitro-benzamide CAS Name: N-[3-(hydroxymethyl)-1-[4-(4-phenylbutoxy)phenyl]pentan-3-yl]-3,5-dinitrobenzamide IUPAC Name: N-[3-(hydroxymethyl)-1-[4-(4-phenylbutoxy)phenyl]pentan-3-yl]-3,5-dinitrobenzamide Traditional Name: N-[1-ethyl-1-methylol-3-[4-(4-phenylbutoxy)phenyl]propyl]-3,5-dinitro-benzamide Formula: C29H33N3O7 MolecularWeight: 535.58822

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCC1=CC=C(C=C1)OCCCCC2=CC=CC=C2)(CO)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCC(CCC1=CC=C(C=C1)OCCCCC2=CC=CC=C2)(CO)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C29H33N3O7/c1-2-29(21-33,30-28(34)24-18-25(31(35)36)20-26(19-24)32(37)38)16-15-23-11-13-27(14-12-23)39-17-7-6-10-22-8-4-3-5-9-22/h3-5,8-9,11-14,18-20,33H,2,6-7,10,15-17,21H2,1H3,(H,30,34)