ethyl 2-(7-bromanyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-yl)ethanoate

Systemtic Name: ethyl 2-(7-bromanyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-yl)ethanoate Openeye Name: ethyl 2-(7-bromo-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetate CAS Name: 2-(7-bromo-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetic acid ethyl ester IUPAC Name: ethyl 2-(7-bromo-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetate Traditional Name: 2-(7-bromo-2-keto-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetic acid ethyl ester Formula: C19H17BrN2O3 MolecularWeight: 401.25388

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C(=O)CN=C(C2=C1C=CC(=C2)Br)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CN1C(=O)CN=C(C2=C1C=CC(=C2)Br)C3=CC=CC=C3

InChI

InChI=1S/C19H17BrN2O3/c1-2-25-18(24)12-22-16-9-8-14(20)10-15(16)19(21-11-17(22)23)13-6-4-3-5-7-13/h3-10H,2,11-12H2,1H3