tert-butyl 1,2-oxazirene-3-carboxylate; ethyl 2-(3-isocyanatophenyl)ethanoate

Systemtic Name: tert-butyl 1,2-oxazirene-3-carboxylate; ethyl 2-(3-isocyanatophenyl)ethanoate Openeye Name: tert-butyl oxazirene-3-carboxylate; ethyl 2-(3-isocyanatophenyl)acetate CAS Name: 2-(3-isocyanatophenyl)acetic acid ethyl ester; 3-oxazirinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl oxazirene-3-carboxylate; ethyl 2-(3-isocyanatophenyl)acetate Traditional Name: 2-(3-isocyanatophenyl)acetic acid ethyl ester; oxazirine-3-carboxylic acid tert-butyl ester Formula: C17H20N2O6 MolecularWeight: 348.3505

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CC(=CC=C1)N=C=O.CC(C)(C)OC(=O)C1=NO1

Isomeric SMILES

CCOC(=O)CC1=CC(=CC=C1)N=C=O.CC(C)(C)OC(=O)C1=NO1

InChI

InChI=1S/C11H11NO3.C6H9NO3/c1-2-15-11(14)7-9-4-3-5-10(6-9)12-8-13;1-6(2,3)9-5(8)4-7-10-4/h3-6H,2,7H2,1H3;1-3H3