[(1S)-1-(2-chlorophenyl)ethyl] 2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoate

Systemtic Name: [(1S)-1-(2-chlorophenyl)ethyl] 2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoate Openeye Name: [(1S)-1-(2-chlorophenyl)ethyl] 2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetate CAS Name: 2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetic acid [(1S)-1-(2-chlorophenyl)ethyl] ester IUPAC Name: [(1S)-1-(2-chlorophenyl)ethyl] 2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetate Traditional Name: 2-(3-keto-6-nitro-1,4-benzoxazin-4-yl)acetic acid [(1S)-1-(2-chlorophenyl)ethyl] ester Formula: C18H15ClN2O6 MolecularWeight: 390.7745

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1Cl)OC(=O)CN2C(=O)COC3=C2C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C1=CC=CC=C1Cl)OC(=O)CN2C(=O)COC3=C2C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H15ClN2O6/c1-11(13-4-2-3-5-14(13)19)27-18(23)9-20-15-8-12(21(24)25)6-7-16(15)26-10-17(20)22/h2-8,11H,9-10H2,1H3/t11-/m0/s1