1-[3-(1-oxidanidylbenzotriazol-1-ium-2-yl)-4-oxidanyl-phenyl]butan-1-one

Systemtic Name: 1-[3-(1-oxidanidylbenzotriazol-1-ium-2-yl)-4-oxidanyl-phenyl]butan-1-one Openeye Name: 1-[4-hydroxy-3-(1-oxidobenzotriazol-1-ium-2-yl)phenyl]butan-1-one CAS Name: 1-[4-hydroxy-3-(1-oxido-2-benzotriazol-1-iumyl)phenyl]-1-butanone IUPAC Name: 1-[4-hydroxy-3-(1-oxidobenzotriazol-1-ium-2-yl)phenyl]butan-1-one Traditional Name: 1-[4-hydroxy-3-(1-oxidobenzotriazol-1-ium-2-yl)phenyl]butan-1-one Formula: C16H15N3O3 MolecularWeight: 297.3086

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=CC(=C(C=C1)O)N2N=C3C=CC=CC3=[N+]2[O-]

Isomeric SMILES

CCCC(=O)C1=CC(=C(C=C1)O)N2N=C3C=CC=CC3=[N+]2[O-]

InChI

InChI=1S/C16H15N3O3/c1-2-5-15(20)11-8-9-16(21)14(10-11)18-17-12-6-3-4-7-13(12)19(18)22/h3-4,6-10,21H,2,5H2,1H3