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

Systemtic Name: 7-methoxy-4-[(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)methyl]chromen-2-one Openeye Name: 7-methoxy-4-[(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)methyl]chromen-2-one CAS Name: 7-methoxy-4-[[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]methyl]-1-benzopyran-2-one IUPAC Name: 7-methoxy-4-[(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)methyl]chromen-2-one Traditional Name: 7-methoxy-4-[(2-nitro-4-pyrrolidinosulfonyl-phenoxy)methyl]coumarin Formula: C21H20N2O8S MolecularWeight: 460.4571

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)COC3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)COC3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C21H20N2O8S/c1-29-15-4-6-17-14(10-21(24)31-20(17)11-15)13-30-19-7-5-16(12-18(19)23(25)26)32(27,28)22-8-2-3-9-22/h4-7,10-12H,2-3,8-9,13H2,1H3