methyl 4-[[4-chloranyl-3-[(E)-dimethylaminomethylideneamino]sulfonyl-phenyl]carbonyl-nitramido-amino]benzoate

Systemtic Name: methyl 4-[[4-chloranyl-3-[(E)-dimethylaminomethylideneamino]sulfonyl-phenyl]carbonyl-nitramido-amino]benzoate Openeye Name: methyl 4-[[4-chloro-3-[(E)-dimethylaminomethyleneamino]sulfonyl-benzoyl]-nitramido-amino]benzoate CAS Name: 4-[[[4-chloro-3-[(E)-dimethylaminomethylideneamino]sulfonylphenyl]-oxomethyl]-nitramidoamino]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-chloro-3-[(E)-dimethylaminomethylideneamino]sulfonylbenzoyl]-nitramidoamino]benzoate Traditional Name: 4-[[4-chloro-3-[(E)-dimethylaminomethyleneamino]sulfonyl-benzoyl]-nitramido-amino]benzoic acid methyl ester Formula: C18H18ClN5O7S MolecularWeight: 483.88282

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C=NS(=O)(=O)C1=C(C=CC(=C1)C(=O)N(C2=CC=C(C=C2)C(=O)OC)N[N+](=O)[O-])Cl

Isomeric SMILES

CN(C)/C=N/S(=O)(=O)C1=C(C=CC(=C1)C(=O)N(C2=CC=C(C=C2)C(=O)OC)N[N+](=O)[O-])Cl

InChI

InChI=1S/C18H18ClN5O7S/c1-22(2)11-20-32(29,30)16-10-13(6-9-15(16)19)17(25)23(21-24(27)28)14-7-4-12(5-8-14)18(26)31-3/h4-11,21H,1-3H3/b20-11+