ethyl 2-[2-(2-ethoxycarbonyl-5-isocyanato-phenyl)-2-oxidanylidene-ethanoyl]-4-isocyanato-benzoate

Systemtic Name: ethyl 2-[2-(2-ethoxycarbonyl-5-isocyanato-phenyl)-2-oxidanylidene-ethanoyl]-4-isocyanato-benzoate Openeye Name: ethyl 2-[2-(2-ethoxycarbonyl-5-isocyanato-phenyl)-2-oxo-acetyl]-4-isocyanato-benzoate CAS Name: 2-[2-(2-ethoxycarbonyl-5-isocyanatophenyl)-1,2-dioxoethyl]-4-isocyanatobenzoic acid ethyl ester IUPAC Name: ethyl 2-[2-(2-ethoxycarbonyl-5-isocyanatophenyl)-2-oxoacetyl]-4-isocyanatobenzoate Traditional Name: 2-[2-(2-carbethoxy-5-isocyanato-phenyl)-2-keto-acetyl]-4-isocyanato-benzoic acid ethyl ester Formula: C22H16N2O8 MolecularWeight: 436.37104

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(C=C1)N=C=O)C(=O)C(=O)C2=C(C=CC(=C2)N=C=O)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=C(C=C(C=C1)N=C=O)C(=O)C(=O)C2=C(C=CC(=C2)N=C=O)C(=O)OCC

InChI

InChI=1S/C22H16N2O8/c1-3-31-21(29)15-7-5-13(23-11-25)9-17(15)19(27)20(28)18-10-14(24-12-26)6-8-16(18)22(30)32-4-2/h5-10H,3-4H2,1-2H3