4-chloranyl-2-[1-(1H-1,2,4-triazol-4-ium-4-ylamino)ethyl]phenolate

Systemtic Name: 4-chloranyl-2-[1-(1H-1,2,4-triazol-4-ium-4-ylamino)ethyl]phenolate Openeye Name: 4-chloro-2-[1-(1H-1,2,4-triazol-4-ium-4-ylamino)ethyl]phenolate CAS Name: 4-chloro-2-[1-(1H-1,2,4-triazol-4-ium-4-ylamino)ethyl]phenolate IUPAC Name: 4-chloro-2-[1-(1H-1,2,4-triazol-4-ium-4-ylamino)ethyl]phenolate Traditional Name: 4-chloro-2-[1-(1H-1,2,4-triazol-4-ium-4-ylamino)ethyl]phenolate Formula: C10H11ClN4O MolecularWeight: 238.67354

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C=CC(=C1)Cl)[O-])N[N+]2=CNN=C2

Isomeric SMILES

CC(C1=C(C=CC(=C1)Cl)[O-])N[N+]2=CNN=C2

InChI

InChI=1S/C10H11ClN4O/c1-7(14-15-5-12-13-6-15)9-4-8(11)2-3-10(9)16/h2-7,14,16H,1H3