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

Systemtic Name: 2-[(E)-(3,6-dimethoxy-2-nitro-phenyl)methylideneamino]-1-oxidanyl-guanidine; 4-methylbenzenesulfonic acid Openeye Name: 2-[(E)-(3,6-dimethoxy-2-nitro-phenyl)methyleneamino]-1-hydroxy-guanidine; 4-methylbenzenesulfonic acid CAS Name: 2-[(E)-(3,6-dimethoxy-2-nitrophenyl)methylideneamino]-1-hydroxyguanidine; 4-methylbenzenesulfonic acid IUPAC Name: 2-[(E)-(3,6-dimethoxy-2-nitrophenyl)methylideneamino]-1-hydroxyguanidine; 4-methylbenzenesulfonic acid Traditional Name: 2-[(E)-(3,6-dimethoxy-2-nitro-benzylidene)amino]-1-hydroxy-guanidine; tosylic acid Formula: C17H21N5O8S MolecularWeight: 455.44234

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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)OC)[N+](=O)[O-])C=NN=C(N)NO

Isomeric SMILES

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

InChI

InChI=1S/C10H13N5O5.C7H8O3S/c1-19-7-3-4-8(20-2)9(15(17)18)6(7)5-12-13-10(11)14-16;1-6-2-4-7(5-3-6)11(8,9)10/h3-5,16H,1-2H3,(H3,11,13,14);2-5H,1H3,(H,8,9,10)/b12-5+;