2-[5-[2,6-bis(fluoranyl)phenyl]-7-chloranyl-2-oxidanylidene-3H-1,4-benzodiazepin-1-yl]ethanoic acid

Systemtic Name: 2-[5-[2,6-bis(fluoranyl)phenyl]-7-chloranyl-2-oxidanylidene-3H-1,4-benzodiazepin-1-yl]ethanoic acid Openeye Name: 2-[7-chloro-5-(2,6-difluorophenyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]acetic acid CAS Name: 2-[7-chloro-5-(2,6-difluorophenyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]acetic acid IUPAC Name: 2-[7-chloro-5-(2,6-difluorophenyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]acetic acid Traditional Name: 2-[7-chloro-5-(2,6-difluorophenyl)-2-keto-3H-1,4-benzodiazepin-1-yl]acetic acid Formula: C17H11ClF2N2O3 MolecularWeight: 364.730646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H11ClF2N2O3/c18-9-4-5-13-10(6-9)17(16-11(19)2-1-3-12(16)20)21-7-14(23)22(13)8-15(24)25/h1-6H,7-8H2,(H,24,25)