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

Systemtic Name: [(1S)-1-phenylethyl] 2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoate Openeye Name: [(1S)-1-phenylethyl] 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-phenylethyl] ester IUPAC Name: [(1S)-1-phenylethyl] 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-phenylethyl] ester Formula: C18H16N2O6 MolecularWeight: 356.32944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N2O6/c1-12(13-5-3-2-4-6-13)26-18(22)10-19-15-9-14(20(23)24)7-8-16(15)25-11-17(19)21/h2-9,12H,10-11H2,1H3/t12-/m0/s1