7-(4-methylsulfonyl-2-nitro-phenoxy)-4-propyl-chromen-2-one

Systemtic Name: 7-(4-methylsulfonyl-2-nitro-phenoxy)-4-propyl-chromen-2-one Openeye Name: 7-(4-methylsulfonyl-2-nitro-phenoxy)-4-propyl-chromen-2-one CAS Name: 7-(4-methylsulfonyl-2-nitrophenoxy)-4-propyl-1-benzopyran-2-one IUPAC Name: 7-(4-methylsulfonyl-2-nitrophenoxy)-4-propylchromen-2-one Traditional Name: 7-(4-mesyl-2-nitro-phenoxy)-4-propyl-coumarin Formula: C19H17NO7S MolecularWeight: 403.40578

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)OC2=C1C=CC(=C2)OC3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCCC1=CC(=O)OC2=C1C=CC(=C2)OC3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C19H17NO7S/c1-3-4-12-9-19(21)27-18-10-13(5-7-15(12)18)26-17-8-6-14(28(2,24)25)11-16(17)20(22)23/h5-11H,3-4H2,1-2H3