(E)-3-[4-(4-butoxyphenyl)phenyl]-1-(3-oxidanidylbenzotriazol-3-ium-1-yl)prop-2-en-1-one

Systemtic Name: (E)-3-[4-(4-butoxyphenyl)phenyl]-1-(3-oxidanidylbenzotriazol-3-ium-1-yl)prop-2-en-1-one Openeye Name: (E)-3-[4-(4-butoxyphenyl)phenyl]-1-(3-oxidobenzotriazol-3-ium-1-yl)prop-2-en-1-one CAS Name: (E)-3-[4-(4-butoxyphenyl)phenyl]-1-(3-oxido-1-benzotriazol-3-iumyl)-2-propen-1-one IUPAC Name: (E)-3-[4-(4-butoxyphenyl)phenyl]-1-(3-oxidobenzotriazol-3-ium-1-yl)prop-2-en-1-one Traditional Name: (E)-3-[4-(4-butoxyphenyl)phenyl]-1-(3-oxidobenzotriazol-3-ium-1-yl)prop-2-en-1-one Formula: C25H23N3O3 MolecularWeight: 413.46842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H23N3O3/c1-2-3-18-31-22-15-13-21(14-16-22)20-11-8-19(9-12-20)10-17-25(29)27-23-6-4-5-7-24(23)28(30)26-27/h4-17H,2-3,18H2,1H3/b17-10+