tert-butyl 2-(7-azanyl-3-oxidanylidene-2,5-dihydro-1H-1,4-benzodiazepin-4-yl)ethanoate

Systemtic Name: tert-butyl 2-(7-azanyl-3-oxidanylidene-2,5-dihydro-1H-1,4-benzodiazepin-4-yl)ethanoate Openeye Name: tert-butyl 2-(7-amino-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-4-yl)acetate CAS Name: 2-(7-amino-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-4-yl)acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-(7-amino-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-4-yl)acetate Traditional Name: 2-(7-amino-3-keto-2,5-dihydro-1H-1,4-benzodiazepin-4-yl)acetic acid tert-butyl ester Formula: C15H21N3O3 MolecularWeight: 291.34554

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1CC2=C(C=CC(=C2)N)NCC1=O

Isomeric SMILES

CC(C)(C)OC(=O)CN1CC2=C(C=CC(=C2)N)NCC1=O

InChI

InChI=1S/C15H21N3O3/c1-15(2,3)21-14(20)9-18-8-10-6-11(16)4-5-12(10)17-7-13(18)19/h4-6,17H,7-9,16H2,1-3H3