1-(2-chloranyl-5-nitro-phenyl)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine

Systemtic Name: 1-(2-chloranyl-5-nitro-phenyl)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine Openeye Name: 1-(2-chloro-5-nitro-phenyl)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine CAS Name: 1-(2-chloro-5-nitrophenyl)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine IUPAC Name: 1-(2-chloro-5-nitrophenyl)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine Traditional Name: (E)-(2-chloro-5-nitro-benzylidene)-(3,5-dimethyl-1,2,4-triazol-4-yl)amine Formula: C11H10ClN5O2 MolecularWeight: 279.6824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1N=CC2=C(C=CC(=C2)[N+](=O)[O-])Cl)C

Isomeric SMILES

CC1=NN=C(N1/N=C/C2=C(C=CC(=C2)[N+](=O)[O-])Cl)C

InChI

InChI=1S/C11H10ClN5O2/c1-7-14-15-8(2)16(7)13-6-9-5-10(17(18)19)3-4-11(9)12/h3-6H,1-2H3/b13-6+