sodium 2-[[(4-benzamido-3-methyl-phenyl)diazenyl]-methyl-amino]ethanoate

Systemtic Name: sodium 2-[[(4-benzamido-3-methyl-phenyl)diazenyl]-methyl-amino]ethanoate Openeye Name: sodium 2-[(4-benzamido-3-methyl-phenyl)azo-methyl-amino]acetate CAS Name: sodium 2-[(4-benzamido-3-methylphenyl)azo-methylamino]acetate IUPAC Name: sodium 2-[[(4-benzamido-3-methylphenyl)diazenyl]-methylamino]acetate Traditional Name: sodium 2-[(4-benzamido-3-methyl-phenyl)azo-methyl-amino]acetate Formula: C17H17N4NaO3 MolecularWeight: 348.33165

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N=NN(C)CC(=O)[O-])NC(=O)C2=CC=CC=C2.[Na+]

Isomeric SMILES

CC1=C(C=CC(=C1)N=NN(C)CC(=O)[O-])NC(=O)C2=CC=CC=C2.[Na+]

InChI

InChI=1S/C17H18N4O3.Na/c1-12-10-14(19-20-21(2)11-16(22)23)8-9-15(12)18-17(24)13-6-4-3-5-7-13;/h3-10H,11H2,1-2H3,(H,18,24)(H,22,23);/q;+1/p-1