[(E)-[isothiocyanato-(3-nitrophenyl)methylidene]amino] methanesulfonate

Systemtic Name: [(E)-[isothiocyanato-(3-nitrophenyl)methylidene]amino] methanesulfonate Openeye Name: [(E)-[isothiocyanato-(3-nitrophenyl)methylene]amino] methanesulfonate CAS Name: methanesulfonic acid [(E)-[isothiocyanato-(3-nitrophenyl)methylidene]amino] ester IUPAC Name: [(E)-[isothiocyanato-(3-nitrophenyl)methylidene]amino] methanesulfonate Traditional Name: methanesulfonic acid [(E)-[isothiocyanato-(3-nitrophenyl)methylene]amino] ester Formula: C9H7N3O5S2 MolecularWeight: 301.29898

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)ON=C(C1=CC(=CC=C1)[N+](=O)[O-])N=C=S

Isomeric SMILES

CS(=O)(=O)O/N=C(\C1=CC(=CC=C1)[N+](=O)[O-])/N=C=S

InChI

InChI=1S/C9H7N3O5S2/c1-19(15,16)17-11-9(10-6-18)7-3-2-4-8(5-7)12(13)14/h2-5H,1H3/b11-9+