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

Systemtic Name: 2-acetamido-2-[7-chloranyl-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-yl]propanedioic acid Openeye Name: 2-acetamido-2-[7-chloro-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-yl]propanedioic acid CAS Name: 2-acetamido-2-[7-chloro-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-yl]propanedioic acid IUPAC Name: 2-acetamido-2-[7-chloro-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-yl]propanedioic acid Traditional Name: 2-acetamido-2-[7-chloro-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-yl]malonic acid Formula: C20H15ClFN3O5 MolecularWeight: 431.801603

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(C1=NC2=C(C=C(C=C2)Cl)C(=NC1)C3=CC=CC=C3F)(C(=O)O)C(=O)O

Isomeric SMILES

CC(=O)NC(C1=NC2=C(C=C(C=C2)Cl)C(=NC1)C3=CC=CC=C3F)(C(=O)O)C(=O)O

InChI

InChI=1S/C20H15ClFN3O5/c1-10(26)25-20(18(27)28,19(29)30)16-9-23-17(12-4-2-3-5-14(12)22)13-8-11(21)6-7-15(13)24-16/h2-8H,9H2,1H3,(H,25,26)(H,27,28)(H,29,30)