2-[(E)-(5-chloranyl-2-nitro-phenyl)methylideneamino]-1-oxidanyl-guanidine; 4-methylbenzenesulfonic acid

Systemtic Name: 2-[(E)-(5-chloranyl-2-nitro-phenyl)methylideneamino]-1-oxidanyl-guanidine; 4-methylbenzenesulfonic acid Openeye Name: 2-[(E)-(5-chloro-2-nitro-phenyl)methyleneamino]-1-hydroxy-guanidine; 4-methylbenzenesulfonic acid CAS Name: 2-[(E)-(5-chloro-2-nitrophenyl)methylideneamino]-1-hydroxyguanidine; 4-methylbenzenesulfonic acid IUPAC Name: 2-[(E)-(5-chloro-2-nitrophenyl)methylideneamino]-1-hydroxyguanidine; 4-methylbenzenesulfonic acid Traditional Name: 2-[(E)-(5-chloro-2-nitro-benzylidene)amino]-1-hydroxy-guanidine; tosylic acid Formula: C15H16ClN5O6S MolecularWeight: 429.83544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC(=C(C=C1Cl)C=NN=C(N)NO)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC(=C(C=C1Cl)/C=N/N=C(/N)\NO)[N+](=O)[O-]

InChI

InChI=1S/C8H8ClN5O3.C7H8O3S/c9-6-1-2-7(14(16)17)5(3-6)4-11-12-8(10)13-15;1-6-2-4-7(5-3-6)11(8,9)10/h1-4,15H,(H3,10,12,13);2-5H,1H3,(H,8,9,10)/b11-4+;