[4-(2,2-dicyanoethenyl)-2-methoxy-phenyl] 1-(4-nitrophenyl)sulfonylpiperidine-3-carboxylate

Systemtic Name: [4-(2,2-dicyanoethenyl)-2-methoxy-phenyl] 1-(4-nitrophenyl)sulfonylpiperidine-3-carboxylate Openeye Name: [4-(2,2-dicyanovinyl)-2-methoxy-phenyl] 1-(4-nitrophenyl)sulfonylpiperidine-3-carboxylate CAS Name: 1-(4-nitrophenyl)sulfonyl-3-piperidinecarboxylic acid [4-(2,2-dicyanoethenyl)-2-methoxyphenyl] ester IUPAC Name: [4-(2,2-dicyanoethenyl)-2-methoxyphenyl] 1-(4-nitrophenyl)sulfonylpiperidine-3-carboxylate Traditional Name: 1-nosylnipecotic 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)C2CCCN(C2)S(=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)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H20N4O7S/c1-33-22-12-16(11-17(13-24)14-25)4-9-21(22)34-23(28)18-3-2-10-26(15-18)35(31,32)20-7-5-19(6-8-20)27(29)30/h4-9,11-12,18H,2-3,10,15H2,1H3