sodium 2-[4-[(7-chloranyl-1,2,4-benzotriazin-3-yl)-methyl-amino]phenoxy]propanoate

Systemtic Name: sodium 2-[4-[(7-chloranyl-1,2,4-benzotriazin-3-yl)-methyl-amino]phenoxy]propanoate Openeye Name: sodium 2-[4-[(7-chloro-1,2,4-benzotriazin-3-yl)-methyl-amino]phenoxy]propanoate CAS Name: sodium 2-[4-[(7-chloro-1,2,4-benzotriazin-3-yl)-methylamino]phenoxy]propanoate IUPAC Name: sodium 2-[4-[(7-chloro-1,2,4-benzotriazin-3-yl)-methylamino]phenoxy]propanoate Traditional Name: sodium 2-[4-[(7-chloro-1,2,4-benzotriazin-3-yl)-methyl-amino]phenoxy]propionate Formula: C17H14ClN4NaO3 MolecularWeight: 380.76083

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])OC1=CC=C(C=C1)N(C)C2=NC3=C(C=C(C=C3)Cl)N=N2.[Na+]

Isomeric SMILES

CC(C(=O)[O-])OC1=CC=C(C=C1)N(C)C2=NC3=C(C=C(C=C3)Cl)N=N2.[Na+]

InChI

InChI=1S/C17H15ClN4O3.Na/c1-10(16(23)24)25-13-6-4-12(5-7-13)22(2)17-19-14-8-3-11(18)9-15(14)20-21-17;/h3-10H,1-2H3,(H,23,24);/q;+1/p-1