tert-butyl 2-(6-isocyanato-1-oxidanylidene-3,4-dihydroisoquinolin-2-yl)ethanoate

Systemtic Name: tert-butyl 2-(6-isocyanato-1-oxidanylidene-3,4-dihydroisoquinolin-2-yl)ethanoate Openeye Name: tert-butyl 2-(6-isocyanato-1-oxo-3,4-dihydroisoquinolin-2-yl)acetate CAS Name: 2-(6-isocyanato-1-oxo-3,4-dihydroisoquinolin-2-yl)acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-(6-isocyanato-1-oxo-3,4-dihydroisoquinolin-2-yl)acetate Traditional Name: 2-(6-isocyanato-1-keto-3,4-dihydroisoquinolin-2-yl)acetic acid tert-butyl ester Formula: C16H18N2O4 MolecularWeight: 302.32512

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1CCC2=C(C1=O)C=CC(=C2)N=C=O

Isomeric SMILES

CC(C)(C)OC(=O)CN1CCC2=C(C1=O)C=CC(=C2)N=C=O

InChI

InChI=1S/C16H18N2O4/c1-16(2,3)22-14(20)9-18-7-6-11-8-12(17-10-19)4-5-13(11)15(18)21/h4-5,8H,6-7,9H2,1-3H3