[1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate

Systemtic Name: [1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate Openeye Name: [1-methyl-2-(2-nitroanilino)-2-oxo-ethyl] 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate CAS Name: 1-(1,3-benzoxazol-2-yl)-4-piperidinecarboxylic acid [1-(2-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-nitroanilino)-1-oxopropan-2-yl] 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate Traditional Name: 1-(1,3-benzoxazol-2-yl)isonipecotic acid [2-keto-1-methyl-2-(2-nitroanilino)ethyl] ester Formula: C22H22N4O6 MolecularWeight: 438.43328

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1[N+](=O)[O-])OC(=O)C2CCN(CC2)C3=NC4=CC=CC=C4O3

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1[N+](=O)[O-])OC(=O)C2CCN(CC2)C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C22H22N4O6/c1-14(20(27)23-16-6-2-4-8-18(16)26(29)30)31-21(28)15-10-12-25(13-11-15)22-24-17-7-3-5-9-19(17)32-22/h2-9,14-15H,10-13H2,1H3,(H,23,27)