3,3-dimethyl-1-[(1S,3R)-3-(4-nitrophenyl)-3,4-dihydro-1H-isochromen-1-yl]butan-2-one

Systemtic Name: 3,3-dimethyl-1-[(1S,3R)-3-(4-nitrophenyl)-3,4-dihydro-1H-isochromen-1-yl]butan-2-one Openeye Name: 3,3-dimethyl-1-[(1S,3R)-3-(4-nitrophenyl)isochroman-1-yl]butan-2-one CAS Name: 3,3-dimethyl-1-[(1S,3R)-3-(4-nitrophenyl)-3,4-dihydro-1H-2-benzopyran-1-yl]-2-butanone IUPAC Name: 3,3-dimethyl-1-[(1S,3R)-3-(4-nitrophenyl)-3,4-dihydro-1H-isochromen-1-yl]butan-2-one Traditional Name: 3,3-dimethyl-1-[(1S,3R)-3-(4-nitrophenyl)isochroman-1-yl]butan-2-one Formula: C21H23NO4 MolecularWeight: 353.41162

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CC1C2=CC=CC=C2CC(O1)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C(=O)C[C@H]1C2=CC=CC=C2C[C@@H](O1)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H23NO4/c1-21(2,3)20(23)13-19-17-7-5-4-6-15(17)12-18(26-19)14-8-10-16(11-9-14)22(24)25/h4-11,18-19H,12-13H2,1-3H3/t18-,19+/m1/s1