[3-oxidanidyl-1-[5-(4-pentoxyphenyl)-1,2-oxazol-3-yl]benzotriazol-3-ium-4-yl]-phenyl-methanone

Systemtic Name: [3-oxidanidyl-1-[5-(4-pentoxyphenyl)-1,2-oxazol-3-yl]benzotriazol-3-ium-4-yl]-phenyl-methanone Openeye Name: [3-oxido-1-[5-(4-pentoxyphenyl)isoxazol-3-yl]benzotriazol-3-ium-4-yl]-phenyl-methanone CAS Name: [3-oxido-1-[5-(4-pentoxyphenyl)-3-isoxazolyl]-4-benzotriazol-3-iumyl]-phenylmethanone IUPAC Name: [3-oxido-1-[5-(4-pentoxyphenyl)-1,2-oxazol-3-yl]benzotriazol-3-ium-4-yl]-phenylmethanone Traditional Name: [1-[5-(4-amoxyphenyl)isoxazol-3-yl]-3-oxido-benzotriazol-3-ium-4-yl]-phenyl-methanone Formula: C27H24N4O4 MolecularWeight: 468.50386

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C2=CC(=NO2)N3C4=CC=CC(=C4[N+](=N3)[O-])C(=O)C5=CC=CC=C5

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C2=CC(=NO2)N3C4=CC=CC(=C4[N+](=N3)[O-])C(=O)C5=CC=CC=C5

InChI

InChI=1S/C27H24N4O4/c1-2-3-7-17-34-21-15-13-19(14-16-21)24-18-25(28-35-24)30-23-12-8-11-22(26(23)31(33)29-30)27(32)20-9-5-4-6-10-20/h4-6,8-16,18H,2-3,7,17H2,1H3