1-[2,2-dimethyl-6-(4-nitrocyclohexa-1,5-dien-1-yl)sulfonyl-3-oxidanyl-chromen-4-yl]pyrrolidin-2-one

Systemtic Name: 1-[2,2-dimethyl-6-(4-nitrocyclohexa-1,5-dien-1-yl)sulfonyl-3-oxidanyl-chromen-4-yl]pyrrolidin-2-one Openeye Name: 1-[3-hydroxy-2,2-dimethyl-6-(4-nitrocyclohexa-1,5-dien-1-yl)sulfonyl-chromen-4-yl]pyrrolidin-2-one CAS Name: 1-[3-hydroxy-2,2-dimethyl-6-[(4-nitro-1-cyclohexa-1,5-dienyl)sulfonyl]-1-benzopyran-4-yl]-2-pyrrolidinone IUPAC Name: 1-[3-hydroxy-2,2-dimethyl-6-(4-nitrocyclohexa-1,5-dien-1-yl)sulfonylchromen-4-yl]pyrrolidin-2-one Traditional Name: 1-[3-hydroxy-2,2-dimethyl-6-(4-nitrocyclohexa-1,5-dien-1-yl)sulfonyl-chromen-4-yl]-2-pyrrolidone Formula: C21H22N2O7S MolecularWeight: 446.47358

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=C(C2=C(O1)C=CC(=C2)S(=O)(=O)C3=CCC(C=C3)[N+](=O)[O-])N4CCCC4=O)O)C

Isomeric SMILES

CC1(C(=C(C2=C(O1)C=CC(=C2)S(=O)(=O)C3=CCC(C=C3)[N+](=O)[O-])N4CCCC4=O)O)C

InChI

InChI=1S/C21H22N2O7S/c1-21(2)20(25)19(22-11-3-4-18(22)24)16-12-15(9-10-17(16)30-21)31(28,29)14-7-5-13(6-8-14)23(26)27/h5,7-10,12-13,25H,3-4,6,11H2,1-2H3