6-chloranyl-7-nitro-2-octan-3-yl-1H-quinazolin-4-one

Systemtic Name: 6-chloranyl-7-nitro-2-octan-3-yl-1H-quinazolin-4-one Openeye Name: 6-chloro-2-(1-ethylhexyl)-7-nitro-1H-quinazolin-4-one CAS Name: 6-chloro-7-nitro-2-octan-3-yl-1H-quinazolin-4-one IUPAC Name: 6-chloro-7-nitro-2-octan-3-yl-1H-quinazolin-4-one Traditional Name: 6-chloro-2-(1-ethylhexyl)-7-nitro-1H-quinazolin-4-one Formula: C16H20ClN3O3 MolecularWeight: 337.8013

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)C1=NC(=O)C2=CC(=C(C=C2N1)[N+](=O)[O-])Cl

Isomeric SMILES

CCCCCC(CC)C1=NC(=O)C2=CC(=C(C=C2N1)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H20ClN3O3/c1-3-5-6-7-10(4-2)15-18-13-9-14(20(22)23)12(17)8-11(13)16(21)19-15/h8-10H,3-7H2,1-2H3,(H,18,19,21)