[2-[(2-methyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate

Systemtic Name: [2-[(2-methyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate Openeye Name: [2-(2-methyl-6-nitro-anilino)-2-oxo-ethyl] 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate CAS Name: 1-(1,3-benzoxazol-2-yl)-4-piperidinecarboxylic acid [2-(2-methyl-6-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-6-nitroanilino)-2-oxoethyl] 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate Traditional Name: 1-(1,3-benzoxazol-2-yl)isonipecotic acid [2-keto-2-(2-methyl-6-nitro-anilino)ethyl] ester Formula: C22H22N4O6 MolecularWeight: 438.43328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)[N+](=O)[O-])NC(=O)COC(=O)C2CCN(CC2)C3=NC4=CC=CC=C4O3

Isomeric SMILES

CC1=C(C(=CC=C1)[N+](=O)[O-])NC(=O)COC(=O)C2CCN(CC2)C3=NC4=CC=CC=C4O3

InChI

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