methyl 2-[4-[(6-chloranyl-1-oxidanidyl-1,2,4-benzotriazin-1-ium-3-yl)oxy]phenoxy]propanoate

Systemtic Name: methyl 2-[4-[(6-chloranyl-1-oxidanidyl-1,2,4-benzotriazin-1-ium-3-yl)oxy]phenoxy]propanoate Openeye Name: methyl 2-[4-[(6-chloro-1-oxido-1,2,4-benzotriazin-1-ium-3-yl)oxy]phenoxy]propanoate CAS Name: 2-[4-[(6-chloro-1-oxido-1,2,4-benzotriazin-1-ium-3-yl)oxy]phenoxy]propanoic acid methyl ester IUPAC Name: methyl 2-[4-[(6-chloro-1-oxido-1,2,4-benzotriazin-1-ium-3-yl)oxy]phenoxy]propanoate Traditional Name: 2-[4-[(6-chloro-1-oxido-1,2,4-benzotriazin-1-ium-3-yl)oxy]phenoxy]propionic acid methyl ester Formula: C17H14ClN3O5 MolecularWeight: 375.76316

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)OC1=CC=C(C=C1)OC2=NC3=C(C=CC(=C3)Cl)[N+](=N2)[O-]

Isomeric SMILES

CC(C(=O)OC)OC1=CC=C(C=C1)OC2=NC3=C(C=CC(=C3)Cl)[N+](=N2)[O-]

InChI

InChI=1S/C17H14ClN3O5/c1-10(16(22)24-2)25-12-4-6-13(7-5-12)26-17-19-14-9-11(18)3-8-15(14)21(23)20-17/h3-10H,1-2H3