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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C2=NOC(=C2)C3=CC=C(C=C3)C(=O)N4C5=CC=CC=C5[N+](=N4)[O-]

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C2=NOC(=C2)C3=CC=C(C=C3)C(=O)N4C5=CC=CC=C5[N+](=N4)[O-]

InChI

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