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

Systemtic Name: propan-2-yl 2-[4-[(7-chloranyl-1-oxidanidyl-1,2,4-benzotriazin-1-ium-3-yl)-methyl-amino]phenoxy]propanoate Openeye Name: isopropyl 2-[4-[(7-chloro-1-oxido-1,2,4-benzotriazin-1-ium-3-yl)-methyl-amino]phenoxy]propanoate CAS Name: 2-[4-[(7-chloro-1-oxido-1,2,4-benzotriazin-1-ium-3-yl)-methylamino]phenoxy]propanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[4-[(7-chloro-1-oxido-1,2,4-benzotriazin-1-ium-3-yl)-methylamino]phenoxy]propanoate Traditional Name: 2-[4-[(7-chloro-1-oxido-1,2,4-benzotriazin-1-ium-3-yl)-methyl-amino]phenoxy]propionic acid isopropyl ester Formula: C20H21ClN4O4 MolecularWeight: 416.85814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN4O4/c1-12(2)28-19(26)13(3)29-16-8-6-15(7-9-16)24(4)20-22-17-10-5-14(21)11-18(17)25(27)23-20/h5-13H,1-4H3