7-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-6-nitro-1H-quinazolin-4-one

Systemtic Name: 7-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-6-nitro-1H-quinazolin-4-one Openeye Name: 7-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-6-nitro-1H-quinazolin-4-one CAS Name: 7-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-6-nitro-1H-quinazolin-4-one IUPAC Name: 7-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-6-nitro-1H-quinazolin-4-one Traditional Name: 7-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-6-nitro-1H-quinazolin-4-one Formula: C18H16N4O5 MolecularWeight: 368.34344

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC2=C(C=C1)OCCO2)C3=C(C=C4C(=C3)NC=NC4=O)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=CC2=C(C=C1)OCCO2)C3=C(C=C4C(=C3)NC=NC4=O)[N+](=O)[O-]

InChI

InChI=1S/C18H16N4O5/c1-21(9-11-2-3-16-17(6-11)27-5-4-26-16)14-8-13-12(7-15(14)22(24)25)18(23)20-10-19-13/h2-3,6-8,10H,4-5,9H2,1H3,(H,19,20,23)