ethyl 2,6-dimethyl-5-nitro-4-[6-oxidanylidene-5-(phenylsulfonyl)cyclohexa-2,4-dien-1-yl]-1,4-dihydropyridine-3-carboxylate

Systemtic Name: ethyl 2,6-dimethyl-5-nitro-4-[6-oxidanylidene-5-(phenylsulfonyl)cyclohexa-2,4-dien-1-yl]-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl 4-[5-(benzenesulfonyl)-6-oxo-cyclohexa-2,4-dien-1-yl]-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylate CAS Name: 4-[5-(benzenesulfonyl)-6-oxo-1-cyclohexa-2,4-dienyl]-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[5-(benzenesulfonyl)-6-oxocyclohexa-2,4-dien-1-yl]-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylate Traditional Name: 4-(5-besyl-6-keto-cyclohexa-2,4-dien-1-yl)-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C22H22N2O7S MolecularWeight: 458.48428

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2C=CC=C(C2=O)S(=O)(=O)C3=CC=CC=C3)[N+](=O)[O-])C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2C=CC=C(C2=O)S(=O)(=O)C3=CC=CC=C3)[N+](=O)[O-])C)C

InChI

InChI=1S/C22H22N2O7S/c1-4-31-22(26)18-13(2)23-14(3)20(24(27)28)19(18)16-11-8-12-17(21(16)25)32(29,30)15-9-6-5-7-10-15/h5-12,16,19,23H,4H2,1-3H3