7-chloranyl-5-phenyl-2H-1,2-benzodiazepine-3-carboxylic acid

Systemtic Name: 7-chloranyl-5-phenyl-2H-1,2-benzodiazepine-3-carboxylic acid Openeye Name: 7-chloro-5-phenyl-2H-1,2-benzodiazepine-3-carboxylic acid CAS Name: 7-chloro-5-phenyl-2H-1,2-benzodiazepine-3-carboxylic acid IUPAC Name: 7-chloro-5-phenyl-2H-1,2-benzodiazepine-3-carboxylic acid Traditional Name: 7-chloro-5-phenyl-2H-1,2-benzodiazepine-3-carboxylic acid Formula: C16H11ClN2O2 MolecularWeight: 298.72374

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=C(C=CC3=NNC(=C2)C(=O)O)Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=C(C=CC3=NNC(=C2)C(=O)O)Cl

InChI

InChI=1S/C16H11ClN2O2/c17-11-6-7-14-13(8-11)12(10-4-2-1-3-5-10)9-15(16(20)21)19-18-14/h1-9,19H,(H,20,21)