8-[[(3-bromophenyl)amino]methyl]-7-oxidanyl-4-phenyl-chromen-2-one hydrochloride

Systemtic Name: 8-[[(3-bromophenyl)amino]methyl]-7-oxidanyl-4-phenyl-chromen-2-one hydrochloride Openeye Name: 8-[(3-bromoanilino)methyl]-7-hydroxy-4-phenyl-chromen-2-one hydrochloride CAS Name: 8-[(3-bromoanilino)methyl]-7-hydroxy-4-phenyl-1-benzopyran-2-one hydrochloride IUPAC Name: 8-[(3-bromoanilino)methyl]-7-hydroxy-4-phenylchromen-2-one hydrochloride Traditional Name: 8-[(3-bromoanilino)methyl]-7-hydroxy-4-phenyl-coumarin hydrochloride Formula: C22H17BrClNO3 MolecularWeight: 458.73228

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=O)OC3=C2C=CC(=C3CNC4=CC(=CC=C4)Br)O.Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=O)OC3=C2C=CC(=C3CNC4=CC(=CC=C4)Br)O.Cl

InChI

InChI=1S/C22H16BrNO3.ClH/c23-15-7-4-8-16(11-15)24-13-19-20(25)10-9-17-18(12-21(26)27-22(17)19)14-5-2-1-3-6-14;/h1-12,24-25H,13H2;1H