sodium 2-[2-azanyl-3-(4-bromophenyl)carbonyl-phenyl]ethanoate dihydrate

Systemtic Name: sodium 2-[2-azanyl-3-(4-bromophenyl)carbonyl-phenyl]ethanoate dihydrate Openeye Name: sodium 2-[2-amino-3-(4-bromobenzoyl)phenyl]acetate dihydrate CAS Name: sodium 2-[2-amino-3-[(4-bromophenyl)-oxomethyl]phenyl]acetate dihydrate IUPAC Name: sodium 2-[2-amino-3-(4-bromobenzoyl)phenyl]acetate dihydrate Traditional Name: sodium 2-[2-amino-3-(4-bromobenzoyl)phenyl]acetate dihydrate Formula: C15H15BrNNaO5 MolecularWeight: 392.17707

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)CC(=O)[O-])N)C(=O)C2=CC=C(C=C2)Br.O.O.[Na+]

Isomeric SMILES

C1=CC(=C(C(=C1)CC(=O)[O-])N)C(=O)C2=CC=C(C=C2)Br.O.O.[Na+]

InChI

InChI=1S/C15H12BrNO3.Na.2H2O/c16-11-6-4-9(5-7-11)15(20)12-3-1-2-10(14(12)17)8-13(18)19;;;/h1-7H,8,17H2,(H,18,19);;2*1H2/q;+1;;/p-1