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

Systemtic Name: sodium 2-[2-azanyl-3-(4-bromophenyl)carbonyl-phenyl]ethanoate hydrate Openeye Name: sodium 2-[2-amino-3-(4-bromobenzoyl)phenyl]acetate hydrate CAS Name: sodium 2-[2-amino-3-[(4-bromophenyl)-oxomethyl]phenyl]acetate hydrate IUPAC Name: sodium 2-[2-amino-3-(4-bromobenzoyl)phenyl]acetate hydrate Traditional Name: sodium 2-[2-amino-3-(4-bromobenzoyl)phenyl]acetate hydrate Formula: C15H13BrNNaO4 MolecularWeight: 374.16179

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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.[Na+]

Isomeric SMILES

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

InChI

InChI=1S/C15H12BrNO3.Na.H2O/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);;1H2/q;+1;/p-1