[1-methyl-5-(4-octoxyphenyl)pyrazol-3-yl]-(3-oxidanidylbenzotriazol-3-ium-1-yl)methanone

Systemtic Name: [1-methyl-5-(4-octoxyphenyl)pyrazol-3-yl]-(3-oxidanidylbenzotriazol-3-ium-1-yl)methanone Openeye Name: [1-methyl-5-(4-octoxyphenyl)pyrazol-3-yl]-(3-oxidobenzotriazol-3-ium-1-yl)methanone CAS Name: [1-methyl-5-(4-octoxyphenyl)-3-pyrazolyl]-(3-oxido-1-benzotriazol-3-iumyl)methanone IUPAC Name: [1-methyl-5-(4-octoxyphenyl)pyrazol-3-yl]-(3-oxidobenzotriazol-3-ium-1-yl)methanone Traditional Name: [1-methyl-5-(4-octoxyphenyl)pyrazol-3-yl]-(3-oxidobenzotriazol-3-ium-1-yl)methanone Formula: C25H29N5O3 MolecularWeight: 447.52946

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=CC(=NN2C)C(=O)N3C4=CC=CC=C4[N+](=N3)[O-]

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=CC(=NN2C)C(=O)N3C4=CC=CC=C4[N+](=N3)[O-]

InChI

InChI=1S/C25H29N5O3/c1-3-4-5-6-7-10-17-33-20-15-13-19(14-16-20)24-18-21(26-28(24)2)25(31)29-22-11-8-9-12-23(22)30(32)27-29/h8-9,11-16,18H,3-7,10,17H2,1-2H3