methyl 4-chloranyl-3-[(E)-dimethylaminomethylideneamino]sulfonyl-5-nitro-benzoate

Systemtic Name: methyl 4-chloranyl-3-[(E)-dimethylaminomethylideneamino]sulfonyl-5-nitro-benzoate Openeye Name: methyl 4-chloro-3-[(E)-dimethylaminomethyleneamino]sulfonyl-5-nitro-benzoate CAS Name: 4-chloro-3-[(E)-dimethylaminomethylideneamino]sulfonyl-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-[(E)-dimethylaminomethylideneamino]sulfonyl-5-nitrobenzoate Traditional Name: 4-chloro-3-[(E)-dimethylaminomethyleneamino]sulfonyl-5-nitro-benzoic acid methyl ester Formula: C11H12ClN3O6S MolecularWeight: 349.74748

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C11H12ClN3O6S/c1-14(2)6-13-22(19,20)9-5-7(11(16)21-3)4-8(10(9)12)15(17)18/h4-6H,1-3H3/b13-6+