(3-bromanyl-6-cyano-2,2-dimethyl-3,4-dihydrochromen-4-yl) 1-(3-nitrophenyl)sulfonylpyrrolidine-2-carboxylate

Systemtic Name: (3-bromanyl-6-cyano-2,2-dimethyl-3,4-dihydrochromen-4-yl) 1-(3-nitrophenyl)sulfonylpyrrolidine-2-carboxylate Openeye Name: (3-bromo-6-cyano-2,2-dimethyl-chroman-4-yl) 1-(3-nitrophenyl)sulfonylpyrrolidine-2-carboxylate CAS Name: 1-(3-nitrophenyl)sulfonyl-2-pyrrolidinecarboxylic acid (3-bromo-6-cyano-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl) ester IUPAC Name: (3-bromo-6-cyano-2,2-dimethyl-3,4-dihydrochromen-4-yl) 1-(3-nitrophenyl)sulfonylpyrrolidine-2-carboxylate Traditional Name: 1-(3-nitrophenyl)sulfonylpyrrolidine-2-carboxylic acid (3-bromo-6-cyano-2,2-dimethyl-chroman-4-yl) ester Formula: C23H22BrN3O7S MolecularWeight: 564.40568

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)OC(=O)C3CCCN3S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-])Br)C

Isomeric SMILES

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)OC(=O)C3CCCN3S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-])Br)C

InChI

InChI=1S/C23H22BrN3O7S/c1-23(2)21(24)20(17-11-14(13-25)8-9-19(17)34-23)33-22(28)18-7-4-10-26(18)35(31,32)16-6-3-5-15(12-16)27(29)30/h3,5-6,8-9,11-12,18,20-21H,4,7,10H2,1-2H3