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

Systemtic Name: 6-chloranyl-7-methyl-4-[(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)methyl]chromen-2-one Openeye Name: 6-chloro-7-methyl-4-[(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)methyl]chromen-2-one CAS Name: 6-chloro-7-methyl-4-[[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]methyl]-1-benzopyran-2-one IUPAC Name: 6-chloro-7-methyl-4-[(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)methyl]chromen-2-one Traditional Name: 6-chloro-7-methyl-4-[(2-nitro-4-pyrrolidinosulfonyl-phenoxy)methyl]coumarin Formula: C21H19ClN2O7S MolecularWeight: 478.90276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)COC3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)COC3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H19ClN2O7S/c1-13-8-20-16(11-17(13)22)14(9-21(25)31-20)12-30-19-5-4-15(10-18(19)24(26)27)32(28,29)23-6-2-3-7-23/h4-5,8-11H,2-3,6-7,12H2,1H3