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

Systemtic Name: (2S)-2-[7-bromanyl-5-(2-chlorophenyl)-2-oxidanylidene-3H-1,4-benzodiazepin-1-yl]propanoate Openeye Name: (2S)-2-[7-bromo-5-(2-chlorophenyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]propanoate CAS Name: (2S)-2-[7-bromo-5-(2-chlorophenyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]propanoate IUPAC Name: (2S)-2-[7-bromo-5-(2-chlorophenyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]propanoate Traditional Name: (2S)-2-[7-bromo-5-(2-chlorophenyl)-2-keto-3H-1,4-benzodiazepin-1-yl]propionate Formula: C18H13BrClN2O3- MolecularWeight: 420.66442

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])N1C(=O)CN=C(C2=C1C=CC(=C2)Br)C3=CC=CC=C3Cl

Isomeric SMILES

C[C@@H](C(=O)[O-])N1C(=O)CN=C(C2=C1C=CC(=C2)Br)C3=CC=CC=C3Cl

InChI

InChI=1S/C18H14BrClN2O3/c1-10(18(24)25)22-15-7-6-11(19)8-13(15)17(21-9-16(22)23)12-4-2-3-5-14(12)20/h2-8,10H,9H2,1H3,(H,24,25)/p-1/t10-/m0/s1