sodium 2-[4-[2-(2-bromophenyl)carbonylhydrazinyl]-4-oxidanylidene-butan-2-yl]-5-methyl-hexanoate

Systemtic Name: sodium 2-[4-[2-(2-bromophenyl)carbonylhydrazinyl]-4-oxidanylidene-butan-2-yl]-5-methyl-hexanoate Openeye Name: sodium 2-[3-[2-(2-bromobenzoyl)hydrazino]-1-methyl-3-oxo-propyl]-5-methyl-hexanoate CAS Name: sodium 2-[4-[[(2-bromophenyl)-oxomethyl]hydrazo]-4-oxobutan-2-yl]-5-methylhexanoate IUPAC Name: sodium 2-[4-[2-(2-bromobenzoyl)hydrazinyl]-4-oxobutan-2-yl]-5-methylhexanoate Traditional Name: sodium 2-[3-[N'-(2-bromobenzoyl)hydrazino]-3-keto-1-methyl-propyl]-5-methyl-hexanoate Formula: C18H24BrN2NaO4 MolecularWeight: 435.28793

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(C(C)CC(=O)NNC(=O)C1=CC=CC=C1Br)C(=O)[O-].[Na+]

Isomeric SMILES

CC(C)CCC(C(C)CC(=O)NNC(=O)C1=CC=CC=C1Br)C(=O)[O-].[Na+]

InChI

InChI=1S/C18H25BrN2O4.Na/c1-11(2)8-9-13(18(24)25)12(3)10-16(22)20-21-17(23)14-6-4-5-7-15(14)19;/h4-7,11-13H,8-10H2,1-3H3,(H,20,22)(H,21,23)(H,24,25);/q;+1/p-1