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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=CC(=C(C=C12)Cl)OC3=C(C=C(C=C3)S(=O)(=O)N4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=O)OC2=CC(=C(C=C12)Cl)OC3=C(C=C(C=C3)S(=O)(=O)N4CCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C21H19ClN2O7S/c1-13-9-21(25)31-19-12-20(16(22)11-15(13)19)30-18-6-5-14(10-17(18)24(26)27)32(28,29)23-7-3-2-4-8-23/h5-6,9-12H,2-4,7-8H2,1H3