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

Systemtic Name: [3-oxidanidyl-2-[3-(4-pentoxyphenyl)-1,2-oxazol-5-yl]-3H-benzotriazol-3-ium-1-yl]-phenyl-methanone Openeye Name: [3-oxido-2-[3-(4-pentoxyphenyl)isoxazol-5-yl]-3H-benzotriazol-3-ium-1-yl]-phenyl-methanone CAS Name: [3-oxido-2-[3-(4-pentoxyphenyl)-5-isoxazolyl]-3H-benzotriazol-3-ium-1-yl]-phenylmethanone IUPAC Name: [3-oxido-2-[3-(4-pentoxyphenyl)-1,2-oxazol-5-yl]-3H-benzotriazol-3-ium-1-yl]-phenylmethanone Traditional Name: [2-[3-(4-amoxyphenyl)isoxazol-5-yl]-3-oxido-3H-benzotriazol-3-ium-1-yl]-phenyl-methanone Formula: C27H26N4O4 MolecularWeight: 470.51974

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C2=NOC(=C2)N3[NH+](C4=CC=CC=C4N3C(=O)C5=CC=CC=C5)[O-]

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C2=NOC(=C2)N3[NH+](C4=CC=CC=C4N3C(=O)C5=CC=CC=C5)[O-]

InChI

InChI=1S/C27H26N4O4/c1-2-3-9-18-34-22-16-14-20(15-17-22)23-19-26(35-28-23)30-29(27(32)21-10-5-4-6-11-21)24-12-7-8-13-25(24)31(30)33/h4-8,10-17,19,31H,2-3,9,18H2,1H3