methyl (2S)-3-(3,4-diacetyloxyphenyl)-2-isocyanato-propanoate

Systemtic Name: methyl (2S)-3-(3,4-diacetyloxyphenyl)-2-isocyanato-propanoate Openeye Name: methyl (2S)-3-(3,4-diacetoxyphenyl)-2-isocyanato-propanoate CAS Name: (2S)-3-(3,4-diacetyloxyphenyl)-2-isocyanatopropanoic acid methyl ester IUPAC Name: methyl (2S)-3-(3,4-diacetyloxyphenyl)-2-isocyanatopropanoate Traditional Name: (2S)-3-(3,4-diacetoxyphenyl)-2-isocyanato-propionic acid methyl ester Formula: C15H15NO7 MolecularWeight: 321.2821

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1)CC(C(=O)OC)N=C=O)OC(=O)C

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1)C[C@@H](C(=O)OC)N=C=O)OC(=O)C

InChI

InChI=1S/C15H15NO7/c1-9(18)22-13-5-4-11(7-14(13)23-10(2)19)6-12(16-8-17)15(20)21-3/h4-5,7,12H,6H2,1-3H3/t12-/m0/s1