2-[(E)-(2-chloranyl-3,4-dimethoxy-6-nitro-phenyl)methylideneamino]-1-oxidanyl-guanidine; 4-methylbenzenesulfonic acid

Systemtic Name: 2-[(E)-(2-chloranyl-3,4-dimethoxy-6-nitro-phenyl)methylideneamino]-1-oxidanyl-guanidine; 4-methylbenzenesulfonic acid Openeye Name: 2-[(E)-(2-chloro-3,4-dimethoxy-6-nitro-phenyl)methyleneamino]-1-hydroxy-guanidine; 4-methylbenzenesulfonic acid CAS Name: 2-[(E)-(2-chloro-3,4-dimethoxy-6-nitrophenyl)methylideneamino]-1-hydroxyguanidine; 4-methylbenzenesulfonic acid IUPAC Name: 2-[(E)-(2-chloro-3,4-dimethoxy-6-nitrophenyl)methylideneamino]-1-hydroxyguanidine; 4-methylbenzenesulfonic acid Traditional Name: 2-[(E)-(2-chloro-3,4-dimethoxy-6-nitro-benzylidene)amino]-1-hydroxy-guanidine; tosylic acid Formula: C17H20ClN5O8S MolecularWeight: 489.8874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.COC1=C(C(=C(C(=C1)[N+](=O)[O-])C=NN=C(N)NO)Cl)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.COC1=C(C(=C(C(=C1)[N+](=O)[O-])/C=N/N=C(/N)\NO)Cl)OC

InChI

InChI=1S/C10H12ClN5O5.C7H8O3S/c1-20-7-3-6(16(18)19)5(8(11)9(7)21-2)4-13-14-10(12)15-17;1-6-2-4-7(5-3-6)11(8,9)10/h3-4,17H,1-2H3,(H3,12,14,15);2-5H,1H3,(H,8,9,10)/b13-4+;