[(Z)-[cyano-(3,4-dimethoxyphenyl)methylidene]amino] 4-nitrobenzenesulfonate

Systemtic Name: [(Z)-[cyano-(3,4-dimethoxyphenyl)methylidene]amino] 4-nitrobenzenesulfonate Openeye Name: [(Z)-[cyano-(3,4-dimethoxyphenyl)methylene]amino] 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid [(Z)-[cyano-(3,4-dimethoxyphenyl)methylidene]amino] ester IUPAC Name: [(Z)-[cyano-(3,4-dimethoxyphenyl)methylidene]amino] 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid [(Z)-[cyano-(3,4-dimethoxyphenyl)methylene]amino] ester Formula: C16H13N3O7S MolecularWeight: 391.35532

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=NOS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)/C(=N/OS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])/C#N)OC

InChI

InChI=1S/C16H13N3O7S/c1-24-15-8-3-11(9-16(15)25-2)14(10-17)18-26-27(22,23)13-6-4-12(5-7-13)19(20)21/h3-9H,1-2H3/b18-14+