[[(4-bromophenyl)amino]-(3-methylphenyl)methyl]phosphonic acid; propan-2-ol

Systemtic Name: [[(4-bromophenyl)amino]-(3-methylphenyl)methyl]phosphonic acid; propan-2-ol Openeye Name: [(4-bromoanilino)-(m-tolyl)methyl]phosphonic acid; propan-2-ol CAS Name: [(4-bromoanilino)-(3-methylphenyl)methyl]phosphonic acid; 2-propanol IUPAC Name: [(4-bromoanilino)-(3-methylphenyl)methyl]phosphonic acid; propan-2-ol Traditional Name: [(4-bromoanilino)-(m-tolyl)methyl]phosphonic acid; propan-2-ol Formula: C17H23BrNO4P MolecularWeight: 416.246581

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C(NC2=CC=C(C=C2)Br)P(=O)(O)O.CC(C)O

Isomeric SMILES

CC1=CC(=CC=C1)C(NC2=CC=C(C=C2)Br)P(=O)(O)O.CC(C)O

InChI

InChI=1S/C14H15BrNO3P.C3H8O/c1-10-3-2-4-11(9-10)14(20(17,18)19)16-13-7-5-12(15)6-8-13;1-3(2)4/h2-9,14,16H,1H3,(H2,17,18,19);3-4H,1-2H3