1-(1,3-benzodioxol-5-yl)-6-nitro-N-propyl-4H-quinazolin-2-amine

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-6-nitro-N-propyl-4H-quinazolin-2-amine Openeye Name: 1-(1,3-benzodioxol-5-yl)-6-nitro-N-propyl-4H-quinazolin-2-amine CAS Name: 1-(1,3-benzodioxol-5-yl)-6-nitro-N-propyl-4H-quinazolin-2-amine IUPAC Name: 1-(1,3-benzodioxol-5-yl)-6-nitro-N-propyl-4H-quinazolin-2-amine Traditional Name: [1-(1,3-benzodioxol-5-yl)-6-nitro-4H-quinazolin-2-yl]-propyl-amine Formula: C18H18N4O4 MolecularWeight: 354.35992

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=NCC2=C(N1C3=CC4=C(C=C3)OCO4)C=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CCCNC1=NCC2=C(N1C3=CC4=C(C=C3)OCO4)C=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O4/c1-2-7-19-18-20-10-12-8-14(22(23)24)3-5-15(12)21(18)13-4-6-16-17(9-13)26-11-25-16/h3-6,8-9H,2,7,10-11H2,1H3,(H,19,20)