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

Systemtic Name: methyl 4-methyl-2-[2-(6-nitro-4-oxidanylidene-quinazolin-3-yl)ethanoylamino]pentanoate Openeye Name: methyl 4-methyl-2-[[2-(6-nitro-4-oxo-quinazolin-3-yl)acetyl]amino]pentanoate CAS Name: 4-methyl-2-[[2-(6-nitro-4-oxo-3-quinazolinyl)-1-oxoethyl]amino]pentanoic acid methyl ester IUPAC Name: methyl 4-methyl-2-[[2-(6-nitro-4-oxoquinazolin-3-yl)acetyl]amino]pentanoate Traditional Name: 2-[[2-(4-keto-6-nitro-quinazolin-3-yl)acetyl]amino]-4-methyl-valeric acid methyl ester Formula: C17H20N4O6 MolecularWeight: 376.3639

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NC(=O)CN1C=NC2=C(C1=O)C=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)CC(C(=O)OC)NC(=O)CN1C=NC2=C(C1=O)C=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H20N4O6/c1-10(2)6-14(17(24)27-3)19-15(22)8-20-9-18-13-5-4-11(21(25)26)7-12(13)16(20)23/h4-5,7,9-10,14H,6,8H2,1-3H3,(H,19,22)