tert-butyl 2-(2-oxidanylidene-4,5,6,7-tetrahydro-3H-1,4-benzodiazonin-1-yl)ethanoate

Systemtic Name: tert-butyl 2-(2-oxidanylidene-4,5,6,7-tetrahydro-3H-1,4-benzodiazonin-1-yl)ethanoate Openeye Name: tert-butyl 2-(2-oxo-4,5,6,7-tetrahydro-3H-1,4-benzodiazonin-1-yl)acetate CAS Name: 2-(2-oxo-4,5,6,7-tetrahydro-3H-1,4-benzodiazonin-1-yl)acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-(2-oxo-4,5,6,7-tetrahydro-3H-1,4-benzodiazonin-1-yl)acetate Traditional Name: 2-(2-keto-4,5,6,7-tetrahydro-3H-1,4-benzodiazonin-1-yl)acetic acid tert-butyl ester Formula: C17H24N2O3 MolecularWeight: 304.38406

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1C(=O)CNCCCC2=CC=CC=C21

Isomeric SMILES

CC(C)(C)OC(=O)CN1C(=O)CNCCCC2=CC=CC=C21

InChI

InChI=1S/C17H24N2O3/c1-17(2,3)22-16(21)12-19-14-9-5-4-7-13(14)8-6-10-18-11-15(19)20/h4-5,7,9,18H,6,8,10-12H2,1-3H3