sodium 2-[[(4-benzamido-2,5-diethoxy-phenyl)diazenyl]-methyl-amino]ethanoate

Systemtic Name: sodium 2-[[(4-benzamido-2,5-diethoxy-phenyl)diazenyl]-methyl-amino]ethanoate Openeye Name: sodium 2-[(4-benzamido-2,5-diethoxy-phenyl)azo-methyl-amino]acetate CAS Name: sodium 2-[(4-benzamido-2,5-diethoxyphenyl)azo-methylamino]acetate IUPAC Name: sodium 2-[[(4-benzamido-2,5-diethoxyphenyl)diazenyl]-methylamino]acetate Traditional Name: sodium 2-[(4-benzamido-2,5-diethoxy-phenyl)azo-methyl-amino]acetate Formula: C20H23N4NaO5 MolecularWeight: 422.41019

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1N=NN(C)CC(=O)[O-])OCC)NC(=O)C2=CC=CC=C2.[Na+]

Isomeric SMILES

CCOC1=CC(=C(C=C1N=NN(C)CC(=O)[O-])OCC)NC(=O)C2=CC=CC=C2.[Na+]

InChI

InChI=1S/C20H24N4O5.Na/c1-4-28-17-12-16(22-23-24(3)13-19(25)26)18(29-5-2)11-15(17)21-20(27)14-9-7-6-8-10-14;/h6-12H,4-5,13H2,1-3H3,(H,21,27)(H,25,26);/q;+1/p-1