[(3Z)-2-oxidanylidene-3-(1,3,3-trimethylindol-2-ylidene)propyl] 4-methylsulfonyl-3-nitro-benzoate

Systemtic Name: [(3Z)-2-oxidanylidene-3-(1,3,3-trimethylindol-2-ylidene)propyl] 4-methylsulfonyl-3-nitro-benzoate Openeye Name: [(3Z)-2-oxo-3-(1,3,3-trimethylindolin-2-ylidene)propyl] 4-methylsulfonyl-3-nitro-benzoate CAS Name: 4-methylsulfonyl-3-nitrobenzoic acid [(3Z)-2-oxo-3-(1,3,3-trimethyl-2-indolylidene)propyl] ester IUPAC Name: [(3Z)-2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl] 4-methylsulfonyl-3-nitrobenzoate Traditional Name: 4-mesyl-3-nitro-benzoic acid [(3Z)-2-keto-3-(1,3,3-trimethylindolin-2-ylidene)propyl] ester Formula: C22H22N2O7S MolecularWeight: 458.48428

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2N(C1=CC(=O)COC(=O)C3=CC(=C(C=C3)S(=O)(=O)C)[N+](=O)[O-])C)C

Isomeric SMILES

CC\1(C2=CC=CC=C2N(/C1=C\C(=O)COC(=O)C3=CC(=C(C=C3)S(=O)(=O)C)[N+](=O)[O-])C)C

InChI

InChI=1S/C22H22N2O7S/c1-22(2)16-7-5-6-8-17(16)23(3)20(22)12-15(25)13-31-21(26)14-9-10-19(32(4,29)30)18(11-14)24(27)28/h5-12H,13H2,1-4H3/b20-12-