tert-butyl N-[1-(2-methoxyethanoyl)-5-oxidanylidene-3,4-dihydro-2H-1,5-benzodiazepin-5-ium-3-yl]carbamate

Systemtic Name: tert-butyl N-[1-(2-methoxyethanoyl)-5-oxidanylidene-3,4-dihydro-2H-1,5-benzodiazepin-5-ium-3-yl]carbamate Openeye Name: tert-butyl N-[1-(2-methoxyacetyl)-5-oxo-3,4-dihydro-2H-1,5-benzodiazepin-5-ium-3-yl]carbamate CAS Name: N-[1-(2-methoxy-1-oxoethyl)-5-oxo-3,4-dihydro-2H-1,5-benzodiazepin-5-ium-3-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-(2-methoxyacetyl)-5-oxo-3,4-dihydro-2H-1,5-benzodiazepin-5-ium-3-yl]carbamate Traditional Name: N-[5-keto-1-(2-methoxyacetyl)-3,4-dihydro-2H-1,5-benzodiazepin-5-ium-3-yl]carbamic acid tert-butyl ester Formula: C17H24N3O5+ MolecularWeight: 350.38956

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CN(C2=CC=CC=C2[N+](=O)C1)C(=O)COC

Isomeric SMILES

CC(C)(C)OC(=O)NC1CN(C2=CC=CC=C2[N+](=O)C1)C(=O)COC

InChI

InChI=1S/C17H23N3O5/c1-17(2,3)25-16(22)18-12-9-19(15(21)11-24-4)13-7-5-6-8-14(13)20(23)10-12/h5-8,12H,9-11H2,1-4H3/p+1