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

Systemtic Name: 7-(2-nitro-4-piperidin-1-ylsulfonyl-phenoxy)chromen-2-one Openeye Name: 7-[2-nitro-4-(1-piperidylsulfonyl)phenoxy]chromen-2-one CAS Name: 7-[2-nitro-4-(1-piperidinylsulfonyl)phenoxy]-1-benzopyran-2-one IUPAC Name: 7-(2-nitro-4-piperidin-1-ylsulfonylphenoxy)chromen-2-one Traditional Name: 7-(2-nitro-4-piperidinosulfonyl-phenoxy)coumarin Formula: C20H18N2O7S MolecularWeight: 430.43112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC3=CC4=C(C=C3)C=CC(=O)O4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC3=CC4=C(C=C3)C=CC(=O)O4)[N+](=O)[O-]

InChI

InChI=1S/C20H18N2O7S/c23-20-9-5-14-4-6-15(12-19(14)29-20)28-18-8-7-16(13-17(18)22(24)25)30(26,27)21-10-2-1-3-11-21/h4-9,12-13H,1-3,10-11H2