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

Systemtic Name: 5-chloranyl-1-[(4S,5S)-7-nitro-4-oxidanyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]pyridin-2-one Openeye Name: 5-chloro-1-[(4S,5S)-4-hydroxy-7-nitro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]pyridin-2-one CAS Name: 5-chloro-1-[(4S,5S)-4-hydroxy-7-nitro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-2-pyridinone IUPAC Name: 5-chloro-1-[(4S,5S)-4-hydroxy-7-nitro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]pyridin-2-one Traditional Name: 5-chloro-1-[(4S,5S)-4-hydroxy-7-nitro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-2-pyridone Formula: C15H13ClN2O5 MolecularWeight: 336.72712

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)[N+](=O)[O-])C(C1O)N3C=C(C=CC3=O)Cl

Isomeric SMILES

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

InChI

InChI=1S/C15H13ClN2O5/c16-9-1-4-14(20)17(8-9)15-11-7-10(18(21)22)2-3-13(11)23-6-5-12(15)19/h1-4,7-8,12,15,19H,5-6H2/t12-,15-/m0/s1