2-[[2-[2-(2-chloroethylcarbamoyl)hydrazinyl]-5-nitro-phenyl]sulfonylamino]benzoic acid

Systemtic Name: 2-[[2-[2-(2-chloroethylcarbamoyl)hydrazinyl]-5-nitro-phenyl]sulfonylamino]benzoic acid Openeye Name: 2-[[2-[2-(2-chloroethylcarbamoyl)hydrazino]-5-nitro-phenyl]sulfonylamino]benzoic acid CAS Name: 2-[[2-[[(2-chloroethylamino)-oxomethyl]hydrazo]-5-nitrophenyl]sulfonylamino]benzoic acid IUPAC Name: 2-[[2-[2-(2-chloroethylcarbamoyl)hydrazinyl]-5-nitrophenyl]sulfonylamino]benzoic acid Traditional Name: 2-[[2-[N'-(2-chloroethylcarbamoyl)hydrazino]-5-nitro-phenyl]sulfonylamino]benzoic acid Formula: C16H16ClN5O7S MolecularWeight: 457.84554

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)NS(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NNC(=O)NCCCl

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)NS(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NNC(=O)NCCCl

InChI

InChI=1S/C16H16ClN5O7S/c17-7-8-18-16(25)20-19-13-6-5-10(22(26)27)9-14(13)30(28,29)21-12-4-2-1-3-11(12)15(23)24/h1-6,9,19,21H,7-8H2,(H,23,24)(H2,18,20,25)