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

Systemtic Name: 2-acetamido-2-[4-chloranyl-5-(2-fluorophenyl)-3,5-dihydro-1,4-benzodiazepin-2-yl]propanedioic acid Openeye Name: 2-acetamido-2-[4-chloro-5-(2-fluorophenyl)-3,5-dihydro-1,4-benzodiazepin-2-yl]propanedioic acid CAS Name: 2-acetamido-2-[4-chloro-5-(2-fluorophenyl)-3,5-dihydro-1,4-benzodiazepin-2-yl]propanedioic acid IUPAC Name: 2-acetamido-2-[4-chloro-5-(2-fluorophenyl)-3,5-dihydro-1,4-benzodiazepin-2-yl]propanedioic acid Traditional Name: 2-acetamido-2-[4-chloro-5-(2-fluorophenyl)-3,5-dihydro-1,4-benzodiazepin-2-yl]malonic acid Formula: C20H17ClFN3O5 MolecularWeight: 433.817483

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(C1=NC2=CC=CC=C2C(N(C1)Cl)C3=CC=CC=C3F)(C(=O)O)C(=O)O

Isomeric SMILES

CC(=O)NC(C1=NC2=CC=CC=C2C(N(C1)Cl)C3=CC=CC=C3F)(C(=O)O)C(=O)O

InChI

InChI=1S/C20H17ClFN3O5/c1-11(26)24-20(18(27)28,19(29)30)16-10-25(21)17(12-6-2-4-8-14(12)22)13-7-3-5-9-15(13)23-16/h2-9,17H,10H2,1H3,(H,24,26)(H,27,28)(H,29,30)