N-[(4-butoxy-3-methoxy-phenyl)methyl]-3,5-dinitro-benzamide

Systemtic Name: N-[(4-butoxy-3-methoxy-phenyl)methyl]-3,5-dinitro-benzamide Openeye Name: N-[(4-butoxy-3-methoxy-phenyl)methyl]-3,5-dinitro-benzamide CAS Name: N-[(4-butoxy-3-methoxyphenyl)methyl]-3,5-dinitrobenzamide IUPAC Name: N-[(4-butoxy-3-methoxyphenyl)methyl]-3,5-dinitrobenzamide Traditional Name: N-(4-butoxy-3-methoxy-benzyl)-3,5-dinitro-benzamide Formula: C19H21N3O7 MolecularWeight: 403.38594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)CNC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)CNC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])OC

InChI

InChI=1S/C19H21N3O7/c1-3-4-7-29-17-6-5-13(8-18(17)28-2)12-20-19(23)14-9-15(21(24)25)11-16(10-14)22(26)27/h5-6,8-11H,3-4,7,12H2,1-2H3,(H,20,23)