3,5-bis(chloranyl)-2-[1-(2-oxidanidyl-3-phenyl-pyrazol-2-ium-1-yl)ethyl]aniline

Systemtic Name: 3,5-bis(chloranyl)-2-[1-(2-oxidanidyl-3-phenyl-pyrazol-2-ium-1-yl)ethyl]aniline Openeye Name: 3,5-dichloro-2-[1-(2-oxido-3-phenyl-pyrazol-2-ium-1-yl)ethyl]aniline CAS Name: 3,5-dichloro-2-[1-(2-oxido-3-phenyl-1-pyrazol-2-iumyl)ethyl]aniline IUPAC Name: 3,5-dichloro-2-[1-(2-oxido-3-phenylpyrazol-2-ium-1-yl)ethyl]aniline Traditional Name: [3,5-dichloro-2-[1-(2-oxido-3-phenyl-pyrazol-2-ium-1-yl)ethyl]phenyl]amine Formula: C17H15Cl2N3O MolecularWeight: 348.2265

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C=C(C=C1N)Cl)Cl)N2C=CC(=[N+]2[O-])C3=CC=CC=C3

Isomeric SMILES

CC(C1=C(C=C(C=C1N)Cl)Cl)N2C=CC(=[N+]2[O-])C3=CC=CC=C3

InChI

InChI=1S/C17H15Cl2N3O/c1-11(17-14(19)9-13(18)10-15(17)20)21-8-7-16(22(21)23)12-5-3-2-4-6-12/h2-11H,20H2,1H3