sodium 2-[5-(4-bromophenyl)carbonyl-1-methyl-pyrrol-2-yl]ethanoate dihydrate

Systemtic Name: sodium 2-[5-(4-bromophenyl)carbonyl-1-methyl-pyrrol-2-yl]ethanoate dihydrate Openeye Name: sodium 2-[5-(4-bromobenzoyl)-1-methyl-pyrrol-2-yl]acetate dihydrate CAS Name: sodium 2-[5-[(4-bromophenyl)-oxomethyl]-1-methyl-2-pyrrolyl]acetate dihydrate IUPAC Name: sodium 2-[5-(4-bromobenzoyl)-1-methylpyrrol-2-yl]acetate dihydrate Traditional Name: sodium 2-[5-(4-bromobenzoyl)-1-methyl-pyrrol-2-yl]acetate dihydrate Formula: C14H15BrNNaO5 MolecularWeight: 380.16637

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC=C1C(=O)C2=CC=C(C=C2)Br)CC(=O)[O-].O.O.[Na+]

Isomeric SMILES

CN1C(=CC=C1C(=O)C2=CC=C(C=C2)Br)CC(=O)[O-].O.O.[Na+]

InChI

InChI=1S/C14H12BrNO3.Na.2H2O/c1-16-11(8-13(17)18)6-7-12(16)14(19)9-2-4-10(15)5-3-9;;;/h2-7H,8H2,1H3,(H,17,18);;2*1H2/q;+1;;/p-1