methyl 2-[4-[(5-methyl-1-oxidanidyl-1,2,4-benzotriazin-1-ium-3-yl)oxy]phenoxy]propanoate

Systemtic Name: methyl 2-[4-[(5-methyl-1-oxidanidyl-1,2,4-benzotriazin-1-ium-3-yl)oxy]phenoxy]propanoate Openeye Name: methyl 2-[4-[(5-methyl-1-oxido-1,2,4-benzotriazin-1-ium-3-yl)oxy]phenoxy]propanoate CAS Name: 2-[4-[(5-methyl-1-oxido-1,2,4-benzotriazin-1-ium-3-yl)oxy]phenoxy]propanoic acid methyl ester IUPAC Name: methyl 2-[4-[(5-methyl-1-oxido-1,2,4-benzotriazin-1-ium-3-yl)oxy]phenoxy]propanoate Traditional Name: 2-[4-[(5-methyl-1-oxido-1,2,4-benzotriazin-1-ium-3-yl)oxy]phenoxy]propionic acid methyl ester Formula: C18H17N3O5 MolecularWeight: 355.34468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)[N+](=NC(=N2)OC3=CC=C(C=C3)OC(C)C(=O)OC)[O-]

Isomeric SMILES

CC1=C2C(=CC=C1)[N+](=NC(=N2)OC3=CC=C(C=C3)OC(C)C(=O)OC)[O-]

InChI

InChI=1S/C18H17N3O5/c1-11-5-4-6-15-16(11)19-18(20-21(15)23)26-14-9-7-13(8-10-14)25-12(2)17(22)24-3/h4-10,12H,1-3H3