2-[9-bromanyl-5-(3-fluorophenyl)-3-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-1-yl]propanoic acid

Systemtic Name: 2-[9-bromanyl-5-(3-fluorophenyl)-3-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-1-yl]propanoic acid Openeye Name: 2-[9-bromo-5-(3-fluorophenyl)-3-methyl-2-oxo-3H-1,4-benzodiazepin-1-yl]propanoic acid CAS Name: 2-[9-bromo-5-(3-fluorophenyl)-3-methyl-2-oxo-3H-1,4-benzodiazepin-1-yl]propanoic acid IUPAC Name: 2-[9-bromo-5-(3-fluorophenyl)-3-methyl-2-oxo-3H-1,4-benzodiazepin-1-yl]propanoic acid Traditional Name: 2-[9-bromo-5-(3-fluorophenyl)-2-keto-3-methyl-3H-1,4-benzodiazepin-1-yl]propionic acid Formula: C19H16BrFN2O3 MolecularWeight: 419.244343

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=C(C=CC=C2Br)C(=N1)C3=CC(=CC=C3)F)C(C)C(=O)O

Isomeric SMILES

CC1C(=O)N(C2=C(C=CC=C2Br)C(=N1)C3=CC(=CC=C3)F)C(C)C(=O)O

InChI

InChI=1S/C19H16BrFN2O3/c1-10-18(24)23(11(2)19(25)26)17-14(7-4-8-15(17)20)16(22-10)12-5-3-6-13(21)9-12/h3-11H,1-2H3,(H,25,26)