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

Systemtic Name: methyl 2-[(2S)-6-nitro-3-oxidanylidene-2-phenyl-1,4-benzoxazin-4-yl]ethanoate Openeye Name: methyl 2-[(2S)-6-nitro-3-oxo-2-phenyl-1,4-benzoxazin-4-yl]acetate CAS Name: 2-[(2S)-6-nitro-3-oxo-2-phenyl-1,4-benzoxazin-4-yl]acetic acid methyl ester IUPAC Name: methyl 2-[(2S)-6-nitro-3-oxo-2-phenyl-1,4-benzoxazin-4-yl]acetate Traditional Name: 2-[(2S)-3-keto-6-nitro-2-phenyl-1,4-benzoxazin-4-yl]acetic acid methyl ester Formula: C17H14N2O6 MolecularWeight: 342.30286

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C2=C(C=CC(=C2)[N+](=O)[O-])OC(C1=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)CN1C2=C(C=CC(=C2)[N+](=O)[O-])O[C@H](C1=O)C3=CC=CC=C3

InChI

InChI=1S/C17H14N2O6/c1-24-15(20)10-18-13-9-12(19(22)23)7-8-14(13)25-16(17(18)21)11-5-3-2-4-6-11/h2-9,16H,10H2,1H3/t16-/m0/s1