[(Z)-[1-(4-methylphenyl)sulfonyl-2,6-dihydropyridin-3-ylidene]methyl] 4-nitrobenzoate

Systemtic Name: [(Z)-[1-(4-methylphenyl)sulfonyl-2,6-dihydropyridin-3-ylidene]methyl] 4-nitrobenzoate Openeye Name: [(Z)-[1-(p-tolylsulfonyl)-2,6-dihydropyridin-3-ylidene]methyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(Z)-[1-(4-methylphenyl)sulfonyl-2,6-dihydropyridin-3-ylidene]methyl] ester IUPAC Name: [(Z)-[1-(4-methylphenyl)sulfonyl-2,6-dihydropyridin-3-ylidene]methyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(Z)-(1-tosyl-2,6-dihydropyridin-3-ylidene)methyl] ester Formula: C20H18N2O6S MolecularWeight: 414.43172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC=CC(=COC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC=C/C(=C/OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])/C2

InChI

InChI=1S/C20H18N2O6S/c1-15-4-10-19(11-5-15)29(26,27)21-12-2-3-16(13-21)14-28-20(23)17-6-8-18(9-7-17)22(24)25/h2-11,14H,12-13H2,1H3/b16-14-