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

Systemtic Name: 2-[7-cyano-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-yl]propanedioic acid Openeye Name: 2-[7-cyano-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-yl]propanedioic acid CAS Name: 2-[7-cyano-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-yl]propanedioic acid IUPAC Name: 2-[7-cyano-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-yl]propanedioic acid Traditional Name: 2-[7-cyano-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-yl]malonic acid Formula: C19H12FN3O4 MolecularWeight: 365.314683

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H12FN3O4/c20-13-4-2-1-3-11(13)17-12-7-10(8-21)5-6-14(12)23-15(9-22-17)16(18(24)25)19(26)27/h1-7,16H,9H2,(H,24,25)(H,26,27)