N-[4-(butylcarbamoyl)phenyl]-3,5-dinitro-benzamide

Systemtic Name: N-[4-(butylcarbamoyl)phenyl]-3,5-dinitro-benzamide Openeye Name: N-[4-(butylcarbamoyl)phenyl]-3,5-dinitro-benzamide CAS Name: N-[4-[butylamino(oxo)methyl]phenyl]-3,5-dinitrobenzamide IUPAC Name: N-[4-(butylcarbamoyl)phenyl]-3,5-dinitrobenzamide Traditional Name: N-[4-(butylcarbamoyl)phenyl]-3,5-dinitro-benzamide Formula: C18H18N4O6 MolecularWeight: 386.35872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCNC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O6/c1-2-3-8-19-17(23)12-4-6-14(7-5-12)20-18(24)13-9-15(21(25)26)11-16(10-13)22(27)28/h4-7,9-11H,2-3,8H2,1H3,(H,19,23)(H,20,24)