[(2S)-1-[(4-methylphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 2-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)ethanoate

Systemtic Name: [(2S)-1-[(4-methylphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 2-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)ethanoate Openeye Name: [(1S)-1-methyl-2-oxo-2-(p-tolylmethylamino)ethyl] 2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetate CAS Name: 2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetic acid [(2S)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetate Traditional Name: 2-(2-keto-6-nitro-1,3-benzoxazol-3-yl)acetic acid [(1S)-2-keto-1-methyl-2-[(4-methylbenzyl)amino]ethyl] ester Formula: C20H19N3O7 MolecularWeight: 413.38076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C(C)OC(=O)CN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)[C@H](C)OC(=O)CN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O

InChI

InChI=1S/C20H19N3O7/c1-12-3-5-14(6-4-12)10-21-19(25)13(2)29-18(24)11-22-16-8-7-15(23(27)28)9-17(16)30-20(22)26/h3-9,13H,10-11H2,1-2H3,(H,21,25)/t13-/m0/s1