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

Systemtic Name: [1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate Openeye Name: [1-methyl-2-(3-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-(3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-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-(3-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)23-16-5-4-6-17(13-16)26(29)30)31-21(28)15-9-11-25(12-10-15)22-24-18-7-2-3-8-19(18)32-22/h2-8,13-15H,9-12H2,1H3,(H,23,27)