[(E)-3-phenylprop-2-enyl] 2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoate

Systemtic Name: [(E)-3-phenylprop-2-enyl] 2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoate Openeye Name: [(E)-cinnamyl] 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 [(E)-3-phenylprop-2-enyl] ester IUPAC Name: [(E)-3-phenylprop-2-enyl] 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 [(E)-cinnamyl] ester Formula: C19H16N2O6 MolecularWeight: 368.34014

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C2=C(O1)C=CC(=C2)[N+](=O)[O-])CC(=O)OCC=CC3=CC=CC=C3

Isomeric SMILES

C1C(=O)N(C2=C(O1)C=CC(=C2)[N+](=O)[O-])CC(=O)OC/C=C/C3=CC=CC=C3

InChI

InChI=1S/C19H16N2O6/c22-18-13-27-17-9-8-15(21(24)25)11-16(17)20(18)12-19(23)26-10-4-7-14-5-2-1-3-6-14/h1-9,11H,10,12-13H2/b7-4+