ethyl 1-[2-(6-nitro-4-oxidanylidene-quinazolin-3-yl)ethanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-(6-nitro-4-oxidanylidene-quinazolin-3-yl)ethanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-(6-nitro-4-oxo-quinazolin-3-yl)acetyl]piperidine-4-carboxylate CAS Name: 1-[2-(6-nitro-4-oxo-3-quinazolinyl)-1-oxoethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(6-nitro-4-oxoquinazolin-3-yl)acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-(4-keto-6-nitro-quinazolin-3-yl)acetyl]isonipecotic acid ethyl ester Formula: C18H20N4O6 MolecularWeight: 388.3746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4O6/c1-2-28-18(25)12-5-7-20(8-6-12)16(23)10-21-11-19-15-4-3-13(22(26)27)9-14(15)17(21)24/h3-4,9,11-12H,2,5-8,10H2,1H3