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

Systemtic Name: [4-(2,2-dicyanoethenyl)-2-methoxy-phenyl] 1-(2-nitrophenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [4-(2,2-dicyanovinyl)-2-methoxy-phenyl] 1-(2-nitrophenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(2-nitrophenyl)sulfonyl-4-piperidinecarboxylic acid [4-(2,2-dicyanoethenyl)-2-methoxyphenyl] ester IUPAC Name: [4-(2,2-dicyanoethenyl)-2-methoxyphenyl] 1-(2-nitrophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-nitrophenyl)sulfonylisonipecotic 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)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)C=C(C#N)C#N)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C23H20N4O7S/c1-33-21-13-16(12-17(14-24)15-25)6-7-20(21)34-23(28)18-8-10-26(11-9-18)35(31,32)22-5-3-2-4-19(22)27(29)30/h2-7,12-13,18H,8-11H2,1H3