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

Systemtic Name: 5-nitro-1-[(4S,5S)-4-oxidanyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]pyridin-2-one Openeye Name: 1-[(4S,5S)-4-hydroxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-5-nitro-pyridin-2-one CAS Name: 1-[(4S,5S)-4-hydroxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-5-nitro-2-pyridinone IUPAC Name: 1-[(4S,5S)-4-hydroxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-5-nitropyridin-2-one Traditional Name: 1-[(4S,5S)-4-hydroxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-5-nitro-2-pyridone Formula: C15H14N2O5 MolecularWeight: 302.28206

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=CC=CC=C2C(C1O)N3C=C(C=CC3=O)[N+](=O)[O-]

Isomeric SMILES

C1COC2=CC=CC=C2[C@@H]([C@H]1O)N3C=C(C=CC3=O)[N+](=O)[O-]

InChI

InChI=1S/C15H14N2O5/c18-12-7-8-22-13-4-2-1-3-11(13)15(12)16-9-10(17(20)21)5-6-14(16)19/h1-6,9,12,15,18H,7-8H2/t12-,15-/m0/s1