ethyl 4-[4-(2-ethoxy-2-oxidanylidene-ethyl)sulfonyl-3-nitro-phenyl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[4-(2-ethoxy-2-oxidanylidene-ethyl)sulfonyl-3-nitro-phenyl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[4-(2-ethoxy-2-oxo-ethyl)sulfonyl-3-nitro-benzoyl]piperazine-1-carboxylate CAS Name: 4-[[4-(2-ethoxy-2-oxoethyl)sulfonyl-3-nitrophenyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(2-ethoxy-2-oxoethyl)sulfonyl-3-nitrobenzoyl]piperazine-1-carboxylate Traditional Name: 4-[4-(2-ethoxy-2-keto-ethyl)sulfonyl-3-nitro-benzoyl]piperazine-1-carboxylic acid ethyl ester Formula: C18H23N3O9S MolecularWeight: 457.45492

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CS(=O)(=O)C1=C(C=C(C=C1)C(=O)N2CCN(CC2)C(=O)OCC)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CS(=O)(=O)C1=C(C=C(C=C1)C(=O)N2CCN(CC2)C(=O)OCC)[N+](=O)[O-]

InChI

InChI=1S/C18H23N3O9S/c1-3-29-16(22)12-31(27,28)15-6-5-13(11-14(15)21(25)26)17(23)19-7-9-20(10-8-19)18(24)30-4-2/h5-6,11H,3-4,7-10,12H2,1-2H3