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

Systemtic Name: 7-methyl-4-[(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)methyl]chromen-2-one Openeye Name: 7-methyl-4-[(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)methyl]chromen-2-one CAS Name: 7-methyl-4-[[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]methyl]-1-benzopyran-2-one IUPAC Name: 7-methyl-4-[(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)methyl]chromen-2-one Traditional Name: 7-methyl-4-[(2-nitro-4-pyrrolidinosulfonyl-phenoxy)methyl]coumarin Formula: C21H20N2O7S MolecularWeight: 444.4577

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C21H20N2O7S/c1-14-4-6-17-15(11-21(24)30-20(17)10-14)13-29-19-7-5-16(12-18(19)23(25)26)31(27,28)22-8-2-3-9-22/h4-7,10-12H,2-3,8-9,13H2,1H3