[(1R)-1-[(3S)-8-methoxy-1-oxidanylidene-3,4-dihydroisochromen-3-yl]-3-methyl-butyl] 4-nitrobenzoate

Systemtic Name: [(1R)-1-[(3S)-8-methoxy-1-oxidanylidene-3,4-dihydroisochromen-3-yl]-3-methyl-butyl] 4-nitrobenzoate Openeye Name: [(1R)-1-[(3S)-8-methoxy-1-oxo-isochroman-3-yl]-3-methyl-butyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(1R)-1-[(3S)-8-methoxy-1-oxo-3,4-dihydro-1H-2-benzopyran-3-yl]-3-methylbutyl] ester IUPAC Name: [(1R)-1-[(3S)-8-methoxy-1-oxo-3,4-dihydroisochromen-3-yl]-3-methylbutyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(1R)-1-[(3S)-1-keto-8-methoxy-isochroman-3-yl]-3-methyl-butyl] ester Formula: C22H23NO7 MolecularWeight: 413.42052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1CC2=C(C(=CC=C2)OC)C(=O)O1)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)C[C@H]([C@@H]1CC2=C(C(=CC=C2)OC)C(=O)O1)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H23NO7/c1-13(2)11-18(29-21(24)14-7-9-16(10-8-14)23(26)27)19-12-15-5-4-6-17(28-3)20(15)22(25)30-19/h4-10,13,18-19H,11-12H2,1-3H3/t18-,19+/m1/s1