[(E)-[(2E)-1,2-dicyano-2-(4-methyl-3-nitro-phenyl)sulfonyloxyimino-ethylidene]amino] 4-methyl-3-nitro-benzenesulfonate

Systemtic Name: [(E)-[(2E)-1,2-dicyano-2-(4-methyl-3-nitro-phenyl)sulfonyloxyimino-ethylidene]amino] 4-methyl-3-nitro-benzenesulfonate Openeye Name: [(E)-[(2E)-1,2-dicyano-2-(4-methyl-3-nitro-phenyl)sulfonyloxyimino-ethylidene]amino] 4-methyl-3-nitro-benzenesulfonate CAS Name: 4-methyl-3-nitrobenzenesulfonic acid [(E)-[(2E)-1,2-dicyano-2-(4-methyl-3-nitrophenyl)sulfonyloxyiminoethylidene]amino] ester IUPAC Name: [(E)-[(2E)-1,2-dicyano-2-(4-methyl-3-nitrophenyl)sulfonyloxyiminoethylidene]amino] 4-methyl-3-nitrobenzenesulfonate Traditional Name: 4-methyl-3-nitro-benzenesulfonic acid [(E)-[(2E)-1,2-dicyano-2-(4-methyl-3-nitro-phenyl)sulfonyloximino-ethylidene]amino] ester Formula: C18H12N6O10S2 MolecularWeight: 536.45208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)ON=C(C#N)C(=NOS(=O)(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-])C#N)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)O/N=C(\C(=N/OS(=O)(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-])\C#N)/C#N)[N+](=O)[O-]

InChI

InChI=1S/C18H12N6O10S2/c1-11-3-5-13(7-17(11)23(25)26)35(29,30)33-21-15(9-19)16(10-20)22-34-36(31,32)14-6-4-12(2)18(8-14)24(27)28/h3-8H,1-2H3/b21-15-,22-16-