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

Systemtic Name: 4-methyl-7-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)chromen-2-one Openeye Name: 4-methyl-7-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)chromen-2-one CAS Name: 4-methyl-7-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]-1-benzopyran-2-one IUPAC Name: 4-methyl-7-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)chromen-2-one Traditional Name: 4-methyl-7-(2-nitro-4-pyrrolidinosulfonyl-phenoxy)coumarin Formula: C20H18N2O7S MolecularWeight: 430.43112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)OC3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)OC3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C20H18N2O7S/c1-13-10-20(23)29-19-11-14(4-6-16(13)19)28-18-7-5-15(12-17(18)22(24)25)30(26,27)21-8-2-3-9-21/h4-7,10-12H,2-3,8-9H2,1H3