methyl 2-[2-(6-nitro-4-oxidanylidene-quinazolin-3-yl)ethanoylamino]ethanoate

Systemtic Name: methyl 2-[2-(6-nitro-4-oxidanylidene-quinazolin-3-yl)ethanoylamino]ethanoate Openeye Name: methyl 2-[[2-(6-nitro-4-oxo-quinazolin-3-yl)acetyl]amino]acetate CAS Name: 2-[[2-(6-nitro-4-oxo-3-quinazolinyl)-1-oxoethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[2-(6-nitro-4-oxoquinazolin-3-yl)acetyl]amino]acetate Traditional Name: 2-[[2-(4-keto-6-nitro-quinazolin-3-yl)acetyl]amino]acetic acid methyl ester Formula: C13H12N4O6 MolecularWeight: 320.25758

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNC(=O)CN1C=NC2=C(C1=O)C=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CNC(=O)CN1C=NC2=C(C1=O)C=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H12N4O6/c1-23-12(19)5-14-11(18)6-16-7-15-10-3-2-8(17(21)22)4-9(10)13(16)20/h2-4,7H,5-6H2,1H3,(H,14,18)