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

Systemtic Name: methyl 3-[2-(6-nitro-4-oxidanylidene-quinazolin-3-yl)ethanoylamino]propanoate Openeye Name: methyl 3-[[2-(6-nitro-4-oxo-quinazolin-3-yl)acetyl]amino]propanoate CAS Name: 3-[[2-(6-nitro-4-oxo-3-quinazolinyl)-1-oxoethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[[2-(6-nitro-4-oxoquinazolin-3-yl)acetyl]amino]propanoate Traditional Name: 3-[[2-(4-keto-6-nitro-quinazolin-3-yl)acetyl]amino]propionic acid methyl ester Formula: C14H14N4O6 MolecularWeight: 334.28416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N4O6/c1-24-13(20)4-5-15-12(19)7-17-8-16-11-3-2-9(18(22)23)6-10(11)14(17)21/h2-3,6,8H,4-5,7H2,1H3,(H,15,19)