methyl 4-(6-nitro-4-oxidanylidene-quinazolin-3-yl)butanoate

Systemtic Name: methyl 4-(6-nitro-4-oxidanylidene-quinazolin-3-yl)butanoate Openeye Name: methyl 4-(6-nitro-4-oxo-quinazolin-3-yl)butanoate CAS Name: 4-(6-nitro-4-oxo-3-quinazolinyl)butanoic acid methyl ester IUPAC Name: methyl 4-(6-nitro-4-oxoquinazolin-3-yl)butanoate Traditional Name: 4-(4-keto-6-nitro-quinazolin-3-yl)butyric acid methyl ester Formula: C13H13N3O5 MolecularWeight: 291.25942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCN1C=NC2=C(C1=O)C=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CCCN1C=NC2=C(C1=O)C=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H13N3O5/c1-21-12(17)3-2-6-15-8-14-11-5-4-9(16(19)20)7-10(11)13(15)18/h4-5,7-8H,2-3,6H2,1H3