2-[(4-nitro-3-oxidanyl-phenyl)carbonylamino]-4-pyrrolidin-1-ylsulfonyl-phenolate

Systemtic Name: 2-[(4-nitro-3-oxidanyl-phenyl)carbonylamino]-4-pyrrolidin-1-ylsulfonyl-phenolate Openeye Name: 2-[(3-hydroxy-4-nitro-benzoyl)amino]-4-pyrrolidin-1-ylsulfonyl-phenolate CAS Name: 2-[[(3-hydroxy-4-nitrophenyl)-oxomethyl]amino]-4-(1-pyrrolidinylsulfonyl)phenolate IUPAC Name: 2-[(3-hydroxy-4-nitrobenzoyl)amino]-4-pyrrolidin-1-ylsulfonylphenolate Traditional Name: 2-[(3-hydroxy-4-nitro-benzoyl)amino]-4-pyrrolidinosulfonyl-phenolate Formula: C17H16N3O7S- MolecularWeight: 406.38984

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)[O-])NC(=O)C3=CC(=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)[O-])NC(=O)C3=CC(=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C17H17N3O7S/c21-15-6-4-12(28(26,27)19-7-1-2-8-19)10-13(15)18-17(23)11-3-5-14(20(24)25)16(22)9-11/h3-6,9-10,21-22H,1-2,7-8H2,(H,18,23)/p-1