1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl 1-(2-nitrophenyl)piperidine-4-carboxylate

Systemtic Name: 1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl 1-(2-nitrophenyl)piperidine-4-carboxylate Openeye Name: 1-(4-oxo-1H-quinazolin-2-yl)ethyl 1-(2-nitrophenyl)piperidine-4-carboxylate CAS Name: 1-(2-nitrophenyl)-4-piperidinecarboxylic acid 1-(4-oxo-1H-quinazolin-2-yl)ethyl ester IUPAC Name: 1-(4-oxo-1H-quinazolin-2-yl)ethyl 1-(2-nitrophenyl)piperidine-4-carboxylate Traditional Name: 1-(2-nitrophenyl)isonipecotic acid 1-(4-keto-1H-quinazolin-2-yl)ethyl ester Formula: C22H22N4O5 MolecularWeight: 422.43388

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=O)C2=CC=CC=C2N1)OC(=O)C3CCN(CC3)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CC(C1=NC(=O)C2=CC=CC=C2N1)OC(=O)C3CCN(CC3)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O5/c1-14(20-23-17-7-3-2-6-16(17)21(27)24-20)31-22(28)15-10-12-25(13-11-15)18-8-4-5-9-19(18)26(29)30/h2-9,14-15H,10-13H2,1H3,(H,23,24,27)