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

Systemtic Name: tert-butyl 2-(7-chloranyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-yl)ethanoate Openeye Name: tert-butyl 2-(7-chloro-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetate CAS Name: 2-(7-chloro-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-(7-chloro-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetate Traditional Name: 2-(7-chloro-2-keto-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetic acid tert-butyl ester Formula: C21H21ClN2O3 MolecularWeight: 384.85604

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)CN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3

InChI

InChI=1S/C21H21ClN2O3/c1-21(2,3)27-19(26)13-24-17-10-9-15(22)11-16(17)20(23-12-18(24)25)14-7-5-4-6-8-14/h4-11H,12-13H2,1-3H3