N-(1,3-benzodioxol-5-ylmethyl)-N-butyl-7-chloranyl-6-nitro-quinazolin-4-amine

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-N-butyl-7-chloranyl-6-nitro-quinazolin-4-amine Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-N-butyl-7-chloro-6-nitro-quinazolin-4-amine CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-N-butyl-7-chloro-6-nitro-4-quinazolinamine IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-N-butyl-7-chloro-6-nitroquinazolin-4-amine Traditional Name: butyl-(7-chloro-6-nitro-quinazolin-4-yl)-piperonyl-amine Formula: C20H19ClN4O4 MolecularWeight: 414.84226

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CC2=C(C=C1)OCO2)C3=NC=NC4=CC(=C(C=C43)[N+](=O)[O-])Cl

Isomeric SMILES

CCCCN(CC1=CC2=C(C=C1)OCO2)C3=NC=NC4=CC(=C(C=C43)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H19ClN4O4/c1-2-3-6-24(10-13-4-5-18-19(7-13)29-12-28-18)20-14-8-17(25(26)27)15(21)9-16(14)22-11-23-20/h4-5,7-9,11H,2-3,6,10,12H2,1H3