3-[1-(3-nitrophenyl)propyl]-2-oxidanyl-4a,5,6,7,8,8a-hexahydrochromen-4-one

Systemtic Name: 3-[1-(3-nitrophenyl)propyl]-2-oxidanyl-4a,5,6,7,8,8a-hexahydrochromen-4-one Openeye Name: 2-hydroxy-3-[1-(3-nitrophenyl)propyl]-4a,5,6,7,8,8a-hexahydrochromen-4-one CAS Name: 2-hydroxy-3-[1-(3-nitrophenyl)propyl]-4a,5,6,7,8,8a-hexahydro-1-benzopyran-4-one IUPAC Name: 2-hydroxy-3-[1-(3-nitrophenyl)propyl]-4a,5,6,7,8,8a-hexahydrochromen-4-one Traditional Name: 2-hydroxy-3-[1-(3-nitrophenyl)propyl]-4a,5,6,7,8,8a-hexahydrochromen-4-one Formula: C18H21NO5 MolecularWeight: 331.36304

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC(=CC=C1)[N+](=O)[O-])C2=C(OC3CCCCC3C2=O)O

Isomeric SMILES

CCC(C1=CC(=CC=C1)[N+](=O)[O-])C2=C(OC3CCCCC3C2=O)O

InChI

InChI=1S/C18H21NO5/c1-2-13(11-6-5-7-12(10-11)19(22)23)16-17(20)14-8-3-4-9-15(14)24-18(16)21/h5-7,10,13-15,21H,2-4,8-9H2,1H3