methyl 1-[2-(7-nitro-4-oxidanylidene-quinazolin-3-yl)ethanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-(7-nitro-4-oxidanylidene-quinazolin-3-yl)ethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-(7-nitro-4-oxo-quinazolin-3-yl)acetyl]piperidine-4-carboxylate CAS Name: 1-[2-(7-nitro-4-oxo-3-quinazolinyl)-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(7-nitro-4-oxoquinazolin-3-yl)acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-(4-keto-7-nitro-quinazolin-3-yl)acetyl]isonipecotic acid methyl ester Formula: C17H18N4O6 MolecularWeight: 374.34802

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)CN2C=NC3=C(C2=O)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)CN2C=NC3=C(C2=O)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H18N4O6/c1-27-17(24)11-4-6-19(7-5-11)15(22)9-20-10-18-14-8-12(21(25)26)2-3-13(14)16(20)23/h2-3,8,10-11H,4-7,9H2,1H3