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

Systemtic Name: ethyl 3-[7-bromanyl-5-(2-chlorophenyl)-2-oxidanylidene-3H-1,4-benzodiazepin-1-yl]propanoate Openeye Name: ethyl 3-[7-bromo-5-(2-chlorophenyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]propanoate CAS Name: 3-[7-bromo-5-(2-chlorophenyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[7-bromo-5-(2-chlorophenyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]propanoate Traditional Name: 3-[7-bromo-5-(2-chlorophenyl)-2-keto-3H-1,4-benzodiazepin-1-yl]propionic acid ethyl ester Formula: C20H18BrClN2O3 MolecularWeight: 449.72552

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN1C(=O)CN=C(C2=C1C=CC(=C2)Br)C3=CC=CC=C3Cl

Isomeric SMILES

CCOC(=O)CCN1C(=O)CN=C(C2=C1C=CC(=C2)Br)C3=CC=CC=C3Cl

InChI

InChI=1S/C20H18BrClN2O3/c1-2-27-19(26)9-10-24-17-8-7-13(21)11-15(17)20(23-12-18(24)25)14-5-3-4-6-16(14)22/h3-8,11H,2,9-10,12H2,1H3