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

Systemtic Name: methyl 4-[2-(6-nitro-4-oxidanylidene-quinazolin-3-yl)ethanoylamino]butanoate Openeye Name: methyl 4-[[2-(6-nitro-4-oxo-quinazolin-3-yl)acetyl]amino]butanoate CAS Name: 4-[[2-(6-nitro-4-oxo-3-quinazolinyl)-1-oxoethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[2-(6-nitro-4-oxoquinazolin-3-yl)acetyl]amino]butanoate Traditional Name: 4-[[2-(4-keto-6-nitro-quinazolin-3-yl)acetyl]amino]butyric acid methyl ester Formula: C15H16N4O6 MolecularWeight: 348.31074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16N4O6/c1-25-14(21)3-2-6-16-13(20)8-18-9-17-12-5-4-10(19(23)24)7-11(12)15(18)22/h4-5,7,9H,2-3,6,8H2,1H3,(H,16,20)