[2-[2-(4-chlorophenyl)carbonylhydrazinyl]-2-oxidanylidene-ethyl] 4-methylsulfonyl-3-nitro-benzoate

Systemtic Name: [2-[2-(4-chlorophenyl)carbonylhydrazinyl]-2-oxidanylidene-ethyl] 4-methylsulfonyl-3-nitro-benzoate Openeye Name: [2-[2-(4-chlorobenzoyl)hydrazino]-2-oxo-ethyl] 4-methylsulfonyl-3-nitro-benzoate CAS Name: 4-methylsulfonyl-3-nitrobenzoic acid [2-[[(4-chlorophenyl)-oxomethyl]hydrazo]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 4-methylsulfonyl-3-nitrobenzoate Traditional Name: 4-mesyl-3-nitro-benzoic acid [2-[N'-(4-chlorobenzoyl)hydrazino]-2-keto-ethyl] ester Formula: C17H14ClN3O8S MolecularWeight: 455.82636

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=C(C=C1)C(=O)OCC(=O)NNC(=O)C2=CC=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=C(C=C(C=C1)C(=O)OCC(=O)NNC(=O)C2=CC=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H14ClN3O8S/c1-30(27,28)14-7-4-11(8-13(14)21(25)26)17(24)29-9-15(22)19-20-16(23)10-2-5-12(18)6-3-10/h2-8H,9H2,1H3,(H,19,22)(H,20,23)