(8-methyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 6-nitro-1,3-benzodioxole-5-carboxylate

Systemtic Name: (8-methyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 6-nitro-1,3-benzodioxole-5-carboxylate Openeye Name: (8-methyl-4-oxo-1H-quinazolin-2-yl)methyl 6-nitro-1,3-benzodioxole-5-carboxylate CAS Name: 6-nitro-1,3-benzodioxole-5-carboxylic acid (8-methyl-4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (8-methyl-4-oxo-1H-quinazolin-2-yl)methyl 6-nitro-1,3-benzodioxole-5-carboxylate Traditional Name: 6-nitro-piperonylic acid (4-keto-8-methyl-1H-quinazolin-2-yl)methyl ester Formula: C18H13N3O7 MolecularWeight: 383.31172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=NC2=O)COC(=O)C3=CC4=C(C=C3[N+](=O)[O-])OCO4

Isomeric SMILES

CC1=CC=CC2=C1NC(=NC2=O)COC(=O)C3=CC4=C(C=C3[N+](=O)[O-])OCO4

InChI

InChI=1S/C18H13N3O7/c1-9-3-2-4-10-16(9)19-15(20-17(10)22)7-26-18(23)11-5-13-14(28-8-27-13)6-12(11)21(24)25/h2-6H,7-8H2,1H3,(H,19,20,22)