7-chloranyl-3-oxidanyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one; ethanoic acid

Systemtic Name: 7-chloranyl-3-oxidanyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one; ethanoic acid Openeye Name: acetic acid; 7-chloro-3-hydroxy-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one CAS Name: acetic acid; 7-chloro-3-hydroxy-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one IUPAC Name: acetic acid; 7-chloro-3-hydroxy-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one Traditional Name: acetic acid; 7-chloro-3-hydroxy-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one Formula: C17H15ClN2O4 MolecularWeight: 346.765

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.C1=CC=C(C=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Cl)O

Isomeric SMILES

CC(=O)O.C1=CC=C(C=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Cl)O

InChI

InChI=1S/C15H11ClN2O2.C2H4O2/c16-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)18-15(20)14(19)17-12;1-2(3)4/h1-8,15,20H,(H,17,19);1H3,(H,3,4)