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

Systemtic Name: ethyl 3-ethyl-4-[6-nitro-2,4-bis(oxidanylidene)-1H-quinazolin-3-yl]piperidine-1-carboxylate Openeye Name: ethyl 3-ethyl-4-(6-nitro-2,4-dioxo-1H-quinazolin-3-yl)piperidine-1-carboxylate CAS Name: 3-ethyl-4-(6-nitro-2,4-dioxo-1H-quinazolin-3-yl)-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-ethyl-4-(6-nitro-2,4-dioxo-1H-quinazolin-3-yl)piperidine-1-carboxylate Traditional Name: 4-(2,4-diketo-6-nitro-1H-quinazolin-3-yl)-3-ethyl-piperidine-1-carboxylic acid ethyl ester Formula: C18H22N4O6 MolecularWeight: 390.39048

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CN(CCC1N2C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])NC2=O)C(=O)OCC

Isomeric SMILES

CCC1CN(CCC1N2C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])NC2=O)C(=O)OCC

InChI

InChI=1S/C18H22N4O6/c1-3-11-10-20(18(25)28-4-2)8-7-15(11)21-16(23)13-9-12(22(26)27)5-6-14(13)19-17(21)24/h5-6,9,11,15H,3-4,7-8,10H2,1-2H3,(H,19,24)