7,8-dimethyl-4-[(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)methyl]chromen-2-one

Systemtic Name: 7,8-dimethyl-4-[(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)methyl]chromen-2-one Openeye Name: 7,8-dimethyl-4-[(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)methyl]chromen-2-one CAS Name: 7,8-dimethyl-4-[[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]methyl]-1-benzopyran-2-one IUPAC Name: 7,8-dimethyl-4-[(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)methyl]chromen-2-one Traditional Name: 7,8-dimethyl-4-[(2-nitro-4-pyrrolidinosulfonyl-phenoxy)methyl]coumarin Formula: C22H22N2O7S MolecularWeight: 458.48428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)[N+](=O)[O-])C

InChI

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