N-[methoxy(phenyl)methyl]-6-nitro-quinazolin-2-amine; 5-oxabicyclo[2.1.1]hexane

Systemtic Name: N-[methoxy(phenyl)methyl]-6-nitro-quinazolin-2-amine; 5-oxabicyclo[2.1.1]hexane Openeye Name: N-[methoxy(phenyl)methyl]-6-nitro-quinazolin-2-amine; 5-oxabicyclo[2.1.1]hexane CAS Name: N-[methoxy(phenyl)methyl]-6-nitro-2-quinazolinamine; 5-oxabicyclo[2.1.1]hexane IUPAC Name: N-[methoxy(phenyl)methyl]-6-nitroquinazolin-2-amine; 5-oxabicyclo[2.1.1]hexane Traditional Name: [methoxy(phenyl)methyl]-(6-nitroquinazolin-2-yl)amine; 5-oxabicyclo[2.1.1]hexane Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

COC(C1=CC=CC=C1)NC2=NC=C3C=C(C=CC3=N2)[N+](=O)[O-].C1CC2CC1O2

Isomeric SMILES

COC(C1=CC=CC=C1)NC2=NC=C3C=C(C=CC3=N2)[N+](=O)[O-].C1CC2CC1O2

InChI

InChI=1S/C16H14N4O3.C5H8O/c1-23-15(11-5-3-2-4-6-11)19-16-17-10-12-9-13(20(21)22)7-8-14(12)18-16;1-2-5-3-4(1)6-5/h2-10,15H,1H3,(H,17,18,19);4-5H,1-3H2