[1-[4-(4-butoxyphenyl)phenyl]-3-oxidanidyl-benzotriazol-3-ium-4-yl]-pyridin-3-yl-methanone

Systemtic Name: [1-[4-(4-butoxyphenyl)phenyl]-3-oxidanidyl-benzotriazol-3-ium-4-yl]-pyridin-3-yl-methanone Openeye Name: [1-[4-(4-butoxyphenyl)phenyl]-3-oxido-benzotriazol-3-ium-4-yl]-(3-pyridyl)methanone CAS Name: [1-[4-(4-butoxyphenyl)phenyl]-3-oxido-4-benzotriazol-3-iumyl]-(3-pyridinyl)methanone IUPAC Name: [1-[4-(4-butoxyphenyl)phenyl]-3-oxidobenzotriazol-3-ium-4-yl]-pyridin-3-ylmethanone Traditional Name: [1-[4-(4-butoxyphenyl)phenyl]-3-oxido-benzotriazol-3-ium-4-yl]-(3-pyridyl)methanone Formula: C28H24N4O3 MolecularWeight: 464.51516

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)N3C4=CC=CC(=C4[N+](=N3)[O-])C(=O)C5=CN=CC=C5

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)N3C4=CC=CC(=C4[N+](=N3)[O-])C(=O)C5=CN=CC=C5

InChI

InChI=1S/C28H24N4O3/c1-2-3-18-35-24-15-11-21(12-16-24)20-9-13-23(14-10-20)31-26-8-4-7-25(27(26)32(34)30-31)28(33)22-6-5-17-29-19-22/h4-17,19H,2-3,18H2,1H3