4-[(3-nitro-4-oxidanidyl-phenyl)sulfonylamino]butanoate

Systemtic Name: 4-[(3-nitro-4-oxidanidyl-phenyl)sulfonylamino]butanoate Openeye Name: 4-[(3-nitro-4-oxido-phenyl)sulfonylamino]butanoate CAS Name: 4-[(3-nitro-4-oxidophenyl)sulfonylamino]butanoate IUPAC Name: 4-[(3-nitro-4-oxidophenyl)sulfonylamino]butanoate Traditional Name: 4-[(3-nitro-4-oxido-phenyl)sulfonylamino]butyrate Formula: C10H10N2O7S-2 MolecularWeight: 302.2606

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1S(=O)(=O)NCCCC(=O)[O-])[N+](=O)[O-])[O-]

Isomeric SMILES

C1=CC(=C(C=C1S(=O)(=O)NCCCC(=O)[O-])[N+](=O)[O-])[O-]

InChI

InChI=1S/C10H12N2O7S/c13-9-4-3-7(6-8(9)12(16)17)20(18,19)11-5-1-2-10(14)15/h3-4,6,11,13H,1-2,5H2,(H,14,15)/p-2