(3S)-6-methoxy-3-(4-nitrophenyl)-3,4-dihydroisochromen-1-one

Systemtic Name: (3S)-6-methoxy-3-(4-nitrophenyl)-3,4-dihydroisochromen-1-one Openeye Name: (3S)-6-methoxy-3-(4-nitrophenyl)isochroman-1-one CAS Name: (3S)-6-methoxy-3-(4-nitrophenyl)-3,4-dihydro-1H-2-benzopyran-1-one IUPAC Name: (3S)-6-methoxy-3-(4-nitrophenyl)-3,4-dihydroisochromen-1-one Traditional Name: (3S)-6-methoxy-3-(4-nitrophenyl)isochroman-1-one Formula: C16H13NO5 MolecularWeight: 299.27812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=O)OC(C2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC2=C(C=C1)C(=O)O[C@@H](C2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H13NO5/c1-21-13-6-7-14-11(8-13)9-15(22-16(14)18)10-2-4-12(5-3-10)17(19)20/h2-8,15H,9H2,1H3/t15-/m0/s1