6,7,8-trimethoxy-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]quinazolin-4-amine

Systemtic Name: 6,7,8-trimethoxy-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]quinazolin-4-amine Openeye Name: 6,7,8-trimethoxy-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]quinazolin-4-amine CAS Name: 6,7,8-trimethoxy-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]-4-quinazolinamine IUPAC Name: 6,7,8-trimethoxy-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]quinazolin-4-amine Traditional Name: (6-nitro-1,3-benzodioxol-5-yl)methyl-(6,7,8-trimethoxyquinazolin-4-yl)amine Formula: C19H18N4O7 MolecularWeight: 414.36882

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C2C(=C1)C(=NC=N2)NCC3=CC4=C(C=C3[N+](=O)[O-])OCO4)OC)OC

Isomeric SMILES

COC1=C(C(=C2C(=C1)C(=NC=N2)NCC3=CC4=C(C=C3[N+](=O)[O-])OCO4)OC)OC

InChI

InChI=1S/C19H18N4O7/c1-26-15-5-11-16(18(28-3)17(15)27-2)21-8-22-19(11)20-7-10-4-13-14(30-9-29-13)6-12(10)23(24)25/h4-6,8H,7,9H2,1-3H3,(H,20,21,22)