(3R,3aR)-1-methyl-3-(4-nitrophenyl)-3-oxidanyl-4,5,6,7-tetrahydro-3aH-inden-2-one

Systemtic Name: (3R,3aR)-1-methyl-3-(4-nitrophenyl)-3-oxidanyl-4,5,6,7-tetrahydro-3aH-inden-2-one Openeye Name: (3R,3aR)-3-hydroxy-1-methyl-3-(4-nitrophenyl)-4,5,6,7-tetrahydro-3aH-inden-2-one CAS Name: (3R,3aR)-3-hydroxy-1-methyl-3-(4-nitrophenyl)-4,5,6,7-tetrahydro-3aH-inden-2-one IUPAC Name: (3R,3aR)-3-hydroxy-1-methyl-3-(4-nitrophenyl)-4,5,6,7-tetrahydro-3aH-inden-2-one Traditional Name: (3R,3aR)-3-hydroxy-1-methyl-3-(4-nitrophenyl)-4,5,6,7-tetrahydro-3aH-inden-2-one Formula: C16H17NO4 MolecularWeight: 287.31048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CCCCC2C(C1=O)(C3=CC=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

CC1=C2CCCC[C@H]2[C@](C1=O)(C3=CC=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C16H17NO4/c1-10-13-4-2-3-5-14(13)16(19,15(10)18)11-6-8-12(9-7-11)17(20)21/h6-9,14,19H,2-5H2,1H3/t14-,16+/m1/s1