4-[(6-bromanyl-2-oxidanyl-naphthalen-1-yl)methylamino]benzoic acid

Systemtic Name: 4-[(6-bromanyl-2-oxidanyl-naphthalen-1-yl)methylamino]benzoic acid Openeye Name: 4-[(6-bromo-2-hydroxy-1-naphthyl)methylamino]benzoic acid CAS Name: 4-[(6-bromo-2-hydroxy-1-naphthalenyl)methylamino]benzoic acid IUPAC Name: 4-[(6-bromo-2-hydroxynaphthalen-1-yl)methylamino]benzoic acid Traditional Name: 4-[(6-bromo-2-hydroxy-1-naphthyl)methylamino]benzoic acid Formula: C18H14BrNO3 MolecularWeight: 372.21266

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)NCC2=C(C=CC3=C2C=CC(=C3)Br)O

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)NCC2=C(C=CC3=C2C=CC(=C3)Br)O

InChI

InChI=1S/C18H14BrNO3/c19-13-4-7-15-12(9-13)3-8-17(21)16(15)10-20-14-5-1-11(2-6-14)18(22)23/h1-9,20-21H,10H2,(H,22,23)