[(2R)-1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(1,3-benzoxazol-2-yl)propanoate

Systemtic Name: [(2R)-1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(1,3-benzoxazol-2-yl)propanoate Openeye Name: [(1R)-1-methyl-2-(2-nitroanilino)-2-oxo-ethyl] 3-(1,3-benzoxazol-2-yl)propanoate CAS Name: 3-(1,3-benzoxazol-2-yl)propanoic acid [(2R)-1-(2-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2-nitroanilino)-1-oxopropan-2-yl] 3-(1,3-benzoxazol-2-yl)propanoate Traditional Name: 3-(1,3-benzoxazol-2-yl)propionic acid [(1R)-2-keto-1-methyl-2-(2-nitroanilino)ethyl] ester Formula: C19H17N3O6 MolecularWeight: 383.35478

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1[N+](=O)[O-])OC(=O)CCC2=NC3=CC=CC=C3O2

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1[N+](=O)[O-])OC(=O)CCC2=NC3=CC=CC=C3O2

InChI

InChI=1S/C19H17N3O6/c1-12(19(24)21-13-6-2-4-8-15(13)22(25)26)27-18(23)11-10-17-20-14-7-3-5-9-16(14)28-17/h2-9,12H,10-11H2,1H3,(H,21,24)/t12-/m1/s1