5-nitro-1-[4-oxidanyl-7-(phenylsulfinyl)-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]pyridin-2-one

Systemtic Name: 5-nitro-1-[4-oxidanyl-7-(phenylsulfinyl)-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]pyridin-2-one Openeye Name: 1-[7-(benzenesulfinyl)-4-hydroxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-5-nitro-pyridin-2-one CAS Name: 1-[7-(benzenesulfinyl)-4-hydroxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-5-nitro-2-pyridinone IUPAC Name: 1-[7-(benzenesulfinyl)-4-hydroxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-5-nitropyridin-2-one Traditional Name: 1-[7-(benzenesulfinyl)-4-hydroxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-5-nitro-2-pyridone Formula: C21H18N2O6S MolecularWeight: 426.44242

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)C3=CC=CC=C3)C(C1O)N4C=C(C=CC4=O)[N+](=O)[O-]

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)C3=CC=CC=C3)C(C1O)N4C=C(C=CC4=O)[N+](=O)[O-]

InChI

InChI=1S/C21H18N2O6S/c24-18-10-11-29-19-8-7-16(30(28)15-4-2-1-3-5-15)12-17(19)21(18)22-13-14(23(26)27)6-9-20(22)25/h1-9,12-13,18,21,24H,10-11H2