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

Systemtic Name: methyl 3-(6-nitro-4-oxidanylidene-quinazolin-3-yl)propanoate Openeye Name: methyl 3-(6-nitro-4-oxo-quinazolin-3-yl)propanoate CAS Name: 3-(6-nitro-4-oxo-3-quinazolinyl)propanoic acid methyl ester IUPAC Name: methyl 3-(6-nitro-4-oxoquinazolin-3-yl)propanoate Traditional Name: 3-(4-keto-6-nitro-quinazolin-3-yl)propionic acid methyl ester Formula: C12H11N3O5 MolecularWeight: 277.23284

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN1C=NC2=C(C1=O)C=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CCN1C=NC2=C(C1=O)C=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H11N3O5/c1-20-11(16)4-5-14-7-13-10-3-2-8(15(18)19)6-9(10)12(14)17/h2-3,6-7H,4-5H2,1H3