N-[3-(1,3-benzodioxol-5-yl)propyl]-7-chloranyl-6-nitro-quinazolin-4-amine

Systemtic Name: N-[3-(1,3-benzodioxol-5-yl)propyl]-7-chloranyl-6-nitro-quinazolin-4-amine Openeye Name: N-[3-(1,3-benzodioxol-5-yl)propyl]-7-chloro-6-nitro-quinazolin-4-amine CAS Name: N-[3-(1,3-benzodioxol-5-yl)propyl]-7-chloro-6-nitro-4-quinazolinamine IUPAC Name: N-[3-(1,3-benzodioxol-5-yl)propyl]-7-chloro-6-nitroquinazolin-4-amine Traditional Name: 3-(1,3-benzodioxol-5-yl)propyl-(7-chloro-6-nitro-quinazolin-4-yl)amine Formula: C18H15ClN4O4 MolecularWeight: 386.7891

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CCCNC3=NC=NC4=CC(=C(C=C43)[N+](=O)[O-])Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CCCNC3=NC=NC4=CC(=C(C=C43)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H15ClN4O4/c19-13-8-14-12(7-15(13)23(24)25)18(22-9-21-14)20-5-1-2-11-3-4-16-17(6-11)27-10-26-16/h3-4,6-9H,1-2,5,10H2,(H,20,21,22)