4-chloranyl-3-[(E)-dimethylaminomethylideneamino]sulfonyl-5-nitro-benzoic acid

Systemtic Name: 4-chloranyl-3-[(E)-dimethylaminomethylideneamino]sulfonyl-5-nitro-benzoic acid Openeye Name: 4-chloro-3-[(E)-dimethylaminomethyleneamino]sulfonyl-5-nitro-benzoic acid CAS Name: 4-chloro-3-[(E)-dimethylaminomethylideneamino]sulfonyl-5-nitrobenzoic acid IUPAC Name: 4-chloro-3-[(E)-dimethylaminomethylideneamino]sulfonyl-5-nitrobenzoic acid Traditional Name: 4-chloro-3-[(E)-dimethylaminomethyleneamino]sulfonyl-5-nitro-benzoic acid Formula: C10H10ClN3O6S MolecularWeight: 335.7209

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C=NS(=O)(=O)C1=CC(=CC(=C1Cl)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CN(C)/C=N/S(=O)(=O)C1=CC(=CC(=C1Cl)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C10H10ClN3O6S/c1-13(2)5-12-21(19,20)8-4-6(10(15)16)3-7(9(8)11)14(17)18/h3-5H,1-2H3,(H,15,16)/b12-5+