1-[3-(2-chloranyl-3-methyl-phenyl)-1,2,3,4-oxatriazol-3-ium-5-yl]-3-(2,5-dimethoxyphenyl)urea

Systemtic Name: 1-[3-(2-chloranyl-3-methyl-phenyl)-1,2,3,4-oxatriazol-3-ium-5-yl]-3-(2,5-dimethoxyphenyl)urea Openeye Name: 1-[3-(2-chloro-3-methyl-phenyl)oxatriazol-3-ium-5-yl]-3-(2,5-dimethoxyphenyl)urea CAS Name: 1-[3-(2-chloro-3-methylphenyl)-5-oxatriazol-3-iumyl]-3-(2,5-dimethoxyphenyl)urea IUPAC Name: 1-[3-(2-chloro-3-methylphenyl)oxatriazol-3-ium-5-yl]-3-(2,5-dimethoxyphenyl)urea Traditional Name: 1-[3-(2-chloro-3-methyl-phenyl)oxatriazol-3-ium-5-yl]-3-(2,5-dimethoxyphenyl)urea Formula: C17H17ClN5O4+ MolecularWeight: 390.80098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)[N+]2=NOC(=N2)NC(=O)NC3=C(C=CC(=C3)OC)OC)Cl

Isomeric SMILES

CC1=C(C(=CC=C1)[N+]2=NOC(=N2)NC(=O)NC3=C(C=CC(=C3)OC)OC)Cl

InChI

InChI=1S/C17H16ClN5O4/c1-10-5-4-6-13(15(10)18)23-21-17(27-22-23)20-16(24)19-12-9-11(25-2)7-8-14(12)26-3/h4-9H,1-3H3,(H-,19,20,21,22,24)/p+1