2-[7-chloranyl-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-yl]propanedioic acid

Systemtic Name: 2-[7-chloranyl-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-yl]propanedioic acid Openeye Name: 2-[7-chloro-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-yl]propanedioic acid CAS Name: 2-[7-chloro-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-yl]propanedioic acid IUPAC Name: 2-[7-chloro-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-yl]propanedioic acid Traditional Name: 2-[7-chloro-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-yl]malonic acid Formula: C18H12ClFN2O4 MolecularWeight: 374.750283

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3F)C(C(=O)O)C(=O)O

Isomeric SMILES

C1C(=NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3F)C(C(=O)O)C(=O)O

InChI

InChI=1S/C18H12ClFN2O4/c19-9-5-6-13-11(7-9)16(10-3-1-2-4-12(10)20)21-8-14(22-13)15(17(23)24)18(25)26/h1-7,15H,8H2,(H,23,24)(H,25,26)