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

Systemtic Name: 7-chloranyl-N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-6-nitro-quinazolin-4-amine Openeye Name: 7-chloro-N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-6-nitro-quinazolin-4-amine CAS Name: 7-chloro-N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-6-nitro-4-quinazolinamine IUPAC Name: 7-chloro-N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-6-nitroquinazolin-4-amine Traditional Name: (7-chloro-6-nitro-quinazolin-4-yl)-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]amine Formula: C17H13ClN4O5 MolecularWeight: 388.76192

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCO2)CNC3=NC=NC4=CC(=C(C=C43)[N+](=O)[O-])Cl

Isomeric SMILES

COC1=CC(=CC2=C1OCO2)CNC3=NC=NC4=CC(=C(C=C43)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H13ClN4O5/c1-25-14-2-9(3-15-16(14)27-8-26-15)6-19-17-10-4-13(22(23)24)11(18)5-12(10)20-7-21-17/h2-5,7H,6,8H2,1H3,(H,19,20,21)