methyl (E)-4-[(2S)-7-nitro-3-oxidanylidene-2-phenyl-1,4-benzoxazin-4-yl]but-2-enoate

Systemtic Name: methyl (E)-4-[(2S)-7-nitro-3-oxidanylidene-2-phenyl-1,4-benzoxazin-4-yl]but-2-enoate Openeye Name: methyl (E)-4-[(2S)-7-nitro-3-oxo-2-phenyl-1,4-benzoxazin-4-yl]but-2-enoate CAS Name: (E)-4-[(2S)-7-nitro-3-oxo-2-phenyl-1,4-benzoxazin-4-yl]-2-butenoic acid methyl ester IUPAC Name: methyl (E)-4-[(2S)-7-nitro-3-oxo-2-phenyl-1,4-benzoxazin-4-yl]but-2-enoate Traditional Name: (E)-4-[(2S)-3-keto-7-nitro-2-phenyl-1,4-benzoxazin-4-yl]but-2-enoic acid methyl ester Formula: C19H16N2O6 MolecularWeight: 368.34014

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CCN1C2=C(C=C(C=C2)[N+](=O)[O-])OC(C1=O)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C19H16N2O6/c1-26-17(22)8-5-11-20-15-10-9-14(21(24)25)12-16(15)27-18(19(20)23)13-6-3-2-4-7-13/h2-10,12,18H,11H2,1H3/b8-5+/t18-/m0/s1