6-(butoxymethyl)-3-chloranyl-7-nitro-benzimidazolo[2,1-b]quinazolin-12-one

Systemtic Name: 6-(butoxymethyl)-3-chloranyl-7-nitro-benzimidazolo[2,1-b]quinazolin-12-one Openeye Name: 6-(butoxymethyl)-3-chloro-7-nitro-benzimidazolo[2,1-b]quinazolin-12-one CAS Name: 6-(butoxymethyl)-3-chloro-7-nitro-12-benzimidazolo[2,1-b]quinazolinone IUPAC Name: 6-(butoxymethyl)-3-chloro-7-nitrobenzimidazolo[2,1-b]quinazolin-12-one Traditional Name: 6-(butoxymethyl)-3-chloro-7-nitro-benzimidazolo[2,1-b]quinazolin-12-one Formula: C19H17ClN4O4 MolecularWeight: 400.81568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOCN1C2=C(C=CC=C2[N+](=O)[O-])N3C1=NC4=C(C3=O)C=CC(=C4)Cl

Isomeric SMILES

CCCCOCN1C2=C(C=CC=C2[N+](=O)[O-])N3C1=NC4=C(C3=O)C=CC(=C4)Cl

InChI

InChI=1S/C19H17ClN4O4/c1-2-3-9-28-11-22-17-15(5-4-6-16(17)24(26)27)23-18(25)13-8-7-12(20)10-14(13)21-19(22)23/h4-8,10H,2-3,9,11H2,1H3