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

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

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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)N4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)OC3=C(C=C(C=C3)S(=O)(=O)N4CCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C21H20N2O7S/c1-14-11-21(24)30-20-12-15(5-7-17(14)20)29-19-8-6-16(13-18(19)23(25)26)31(27,28)22-9-3-2-4-10-22/h5-8,11-13H,2-4,9-10H2,1H3