4-[(E)-[(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)hydrazinylidene]methyl]benzoic acid

Systemtic Name: 4-[(E)-[(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)hydrazinylidene]methyl]benzoic acid Openeye Name: 4-[(E)-[(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)hydrazono]methyl]benzoic acid CAS Name: 4-[(E)-[[2-nitro-4-(1-pyrrolidinylsulfonyl)phenyl]hydrazinylidene]methyl]benzoic acid IUPAC Name: 4-[(E)-[(2-nitro-4-pyrrolidin-1-ylsulfonylphenyl)hydrazinylidene]methyl]benzoic acid Traditional Name: 4-[(E)-[(2-nitro-4-pyrrolidinosulfonyl-phenyl)hydrazono]methyl]benzoic acid Formula: C18H18N4O6S MolecularWeight: 418.42372

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NN=CC3=CC=C(C=C3)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4O6S/c23-18(24)14-5-3-13(4-6-14)12-19-20-16-8-7-15(11-17(16)22(25)26)29(27,28)21-9-1-2-10-21/h3-8,11-12,20H,1-2,9-10H2,(H,23,24)/b19-12+