ethyl 4-(4-isocyanatophenyl)-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-(4-isocyanatophenyl)-4-oxidanylidene-butanoate Openeye Name: ethyl 4-(4-isocyanatophenyl)-4-oxo-butanoate CAS Name: 4-(4-isocyanatophenyl)-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-(4-isocyanatophenyl)-4-oxobutanoate Traditional Name: 4-(4-isocyanatophenyl)-4-keto-butyric acid ethyl ester Formula: C13H13NO4 MolecularWeight: 247.24662

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)C1=CC=C(C=C1)N=C=O

Isomeric SMILES

CCOC(=O)CCC(=O)C1=CC=C(C=C1)N=C=O

InChI

InChI=1S/C13H13NO4/c1-2-18-13(17)8-7-12(16)10-3-5-11(6-4-10)14-9-15/h3-6H,2,7-8H2,1H3