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

Systemtic Name: 1-[3-(3-chloranyl-2-methyl-phenyl)-1,2,3,4-oxatriazol-3-ium-5-yl]-3-prop-2-enyl-urea Openeye Name: 1-allyl-3-[3-(3-chloro-2-methyl-phenyl)oxatriazol-3-ium-5-yl]urea CAS Name: 1-[3-(3-chloro-2-methylphenyl)-5-oxatriazol-3-iumyl]-3-prop-2-enylurea IUPAC Name: 1-[3-(3-chloro-2-methylphenyl)oxatriazol-3-ium-5-yl]-3-prop-2-enylurea Traditional Name: 1-allyl-3-[3-(3-chloro-2-methyl-phenyl)oxatriazol-3-ium-5-yl]urea Formula: C12H13ClN5O2+ MolecularWeight: 294.71692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)[N+]2=NOC(=N2)NC(=O)NCC=C

Isomeric SMILES

CC1=C(C=CC=C1Cl)[N+]2=NOC(=N2)NC(=O)NCC=C

InChI

InChI=1S/C12H12ClN5O2/c1-3-7-14-11(19)15-12-16-18(17-20-12)10-6-4-5-9(13)8(10)2/h3-6H,1,7H2,2H3,(H-,14,15,16,17,19)/p+1