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

Systemtic Name: ethyl 3-(7-bromanyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-yl)propanoate Openeye Name: ethyl 3-(7-bromo-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)propanoate CAS Name: 3-(7-bromo-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)propanoic acid ethyl ester IUPAC Name: ethyl 3-(7-bromo-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)propanoate Traditional Name: 3-(7-bromo-2-keto-5-phenyl-3H-1,4-benzodiazepin-1-yl)propionic acid ethyl ester Formula: C20H19BrN2O3 MolecularWeight: 415.28046

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN1C(=O)CN=C(C2=C1C=CC(=C2)Br)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CCN1C(=O)CN=C(C2=C1C=CC(=C2)Br)C3=CC=CC=C3

InChI

InChI=1S/C20H19BrN2O3/c1-2-26-19(25)10-11-23-17-9-8-15(21)12-16(17)20(22-13-18(23)24)14-6-4-3-5-7-14/h3-9,12H,2,10-11,13H2,1H3