[4-(2,2-dicyanoethenyl)-2-methoxy-phenyl] 1-(4-nitrophenyl)sulfonylpiperidine-2-carboxylate

Systemtic Name: [4-(2,2-dicyanoethenyl)-2-methoxy-phenyl] 1-(4-nitrophenyl)sulfonylpiperidine-2-carboxylate Openeye Name: [4-(2,2-dicyanovinyl)-2-methoxy-phenyl] 1-(4-nitrophenyl)sulfonylpiperidine-2-carboxylate CAS Name: 1-(4-nitrophenyl)sulfonyl-2-piperidinecarboxylic acid [4-(2,2-dicyanoethenyl)-2-methoxyphenyl] ester IUPAC Name: [4-(2,2-dicyanoethenyl)-2-methoxyphenyl] 1-(4-nitrophenyl)sulfonylpiperidine-2-carboxylate Traditional Name: 1-nosylpipecolinic acid [4-(2,2-dicyanovinyl)-2-methoxy-phenyl] ester Formula: C23H20N4O7S MolecularWeight: 496.4925

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C#N)OC(=O)C2CCCCN2S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)C=C(C#N)C#N)OC(=O)C2CCCCN2S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H20N4O7S/c1-33-22-13-16(12-17(14-24)15-25)5-10-21(22)34-23(28)20-4-2-3-11-26(20)35(31,32)19-8-6-18(7-9-19)27(29)30/h5-10,12-13,20H,2-4,11H2,1H3