sodium 2-[3-[4-[4-(dimethylaminodiazenyl)phenyl]carbonylphenoxy]propanoylamino]ethanoate

Systemtic Name: sodium 2-[3-[4-[4-(dimethylaminodiazenyl)phenyl]carbonylphenoxy]propanoylamino]ethanoate Openeye Name: sodium 2-[3-[4-[4-(dimethylaminoazo)benzoyl]phenoxy]propanoylamino]acetate CAS Name: sodium 2-[[3-[4-[[4-(dimethylaminoazo)phenyl]-oxomethyl]phenoxy]-1-oxopropyl]amino]acetate IUPAC Name: sodium 2-[3-[4-[4-(dimethylaminodiazenyl)benzoyl]phenoxy]propanoylamino]acetate Traditional Name: sodium 2-[3-[4-[4-(dimethylaminoazo)benzoyl]phenoxy]propanoylamino]acetate Formula: C20H21N4NaO5 MolecularWeight: 420.39431

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)N=NC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)OCCC(=O)NCC(=O)[O-].[Na+]

Isomeric SMILES

CN(C)N=NC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)OCCC(=O)NCC(=O)[O-].[Na+]

InChI

InChI=1S/C20H22N4O5.Na/c1-24(2)23-22-16-7-3-14(4-8-16)20(28)15-5-9-17(10-6-15)29-12-11-18(25)21-13-19(26)27;/h3-10H,11-13H2,1-2H3,(H,21,25)(H,26,27);/q;+1/p-1