6,7-dimethoxy-4-methyl-2-(6-nitro-1,3-benzodioxol-5-yl)-3-oxidanyl-2H-quinazoline

Systemtic Name: 6,7-dimethoxy-4-methyl-2-(6-nitro-1,3-benzodioxol-5-yl)-3-oxidanyl-2H-quinazoline Openeye Name: 3-hydroxy-6,7-dimethoxy-4-methyl-2-(6-nitro-1,3-benzodioxol-5-yl)-2H-quinazoline CAS Name: 3-hydroxy-6,7-dimethoxy-4-methyl-2-(6-nitro-1,3-benzodioxol-5-yl)-2H-quinazoline IUPAC Name: 3-hydroxy-6,7-dimethoxy-4-methyl-2-(6-nitro-1,3-benzodioxol-5-yl)-2H-quinazoline Traditional Name: 3-hydroxy-6,7-dimethoxy-4-methyl-2-(6-nitro-1,3-benzodioxol-5-yl)-2H-quinazoline Formula: C18H17N3O7 MolecularWeight: 387.34348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=C(C(=CC2=NC(N1O)C3=CC4=C(C=C3[N+](=O)[O-])OCO4)OC)OC

Isomeric SMILES

CC1=C2C=C(C(=CC2=NC(N1O)C3=CC4=C(C=C3[N+](=O)[O-])OCO4)OC)OC

InChI

InChI=1S/C18H17N3O7/c1-9-10-4-14(25-2)15(26-3)6-12(10)19-18(20(9)22)11-5-16-17(28-8-27-16)7-13(11)21(23)24/h4-7,18,22H,8H2,1-3H3