ethyl 2-[[3-nitro-2-oxidanyl-5-[(E)-3-oxidanylidene-3-phenyl-prop-1-enyl]phenoxy]carbonylamino]ethanoate

Systemtic Name: ethyl 2-[[3-nitro-2-oxidanyl-5-[(E)-3-oxidanylidene-3-phenyl-prop-1-enyl]phenoxy]carbonylamino]ethanoate Openeye Name: ethyl 2-[[2-hydroxy-3-nitro-5-[(E)-3-oxo-3-phenyl-prop-1-enyl]phenoxy]carbonylamino]acetate CAS Name: 2-[[[2-hydroxy-3-nitro-5-[(E)-3-oxo-3-phenylprop-1-enyl]phenoxy]-oxomethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[2-hydroxy-3-nitro-5-[(E)-3-oxo-3-phenylprop-1-enyl]phenoxy]carbonylamino]acetate Traditional Name: 2-[[2-hydroxy-5-[(E)-3-keto-3-phenyl-prop-1-enyl]-3-nitro-phenoxy]carbonylamino]acetic acid ethyl ester Formula: C20H18N2O8 MolecularWeight: 414.36552

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=O)OC1=CC(=CC(=C1O)[N+](=O)[O-])C=CC(=O)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CNC(=O)OC1=CC(=CC(=C1O)[N+](=O)[O-])/C=C/C(=O)C2=CC=CC=C2

InChI

InChI=1S/C20H18N2O8/c1-2-29-18(24)12-21-20(26)30-17-11-13(10-15(19(17)25)22(27)28)8-9-16(23)14-6-4-3-5-7-14/h3-11,25H,2,12H2,1H3,(H,21,26)/b9-8+