[(1S,7aS)-7a-methyl-4-(2-nitro-2-phenyl-ethyl)-5-oxidanylidene-2,3,6,7-tetrahydro-1H-inden-1-yl] ethanoate

Systemtic Name: [(1S,7aS)-7a-methyl-4-(2-nitro-2-phenyl-ethyl)-5-oxidanylidene-2,3,6,7-tetrahydro-1H-inden-1-yl] ethanoate Openeye Name: [(1S,7aS)-7a-methyl-4-(2-nitro-2-phenyl-ethyl)-5-oxo-2,3,6,7-tetrahydro-1H-inden-1-yl] acetate CAS Name: acetic acid [(1S,7aS)-7a-methyl-4-(2-nitro-2-phenylethyl)-5-oxo-2,3,6,7-tetrahydro-1H-inden-1-yl] ester IUPAC Name: [(1S,7aS)-7a-methyl-4-(2-nitro-2-phenylethyl)-5-oxo-2,3,6,7-tetrahydro-1H-inden-1-yl] acetate Traditional Name: acetic acid [(1S,7aS)-5-keto-7a-methyl-4-(2-nitro-2-phenyl-ethyl)-2,3,6,7-tetrahydro-1H-inden-1-yl] ester Formula: C20H23NO5 MolecularWeight: 357.40032

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CCC2=C(C(=O)CCC12C)CC(C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)O[C@H]1CCC2=C(C(=O)CC[C@]12C)CC(C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H23NO5/c1-13(22)26-19-9-8-16-15(18(23)10-11-20(16,19)2)12-17(21(24)25)14-6-4-3-5-7-14/h3-7,17,19H,8-12H2,1-2H3/t17?,19-,20-/m0/s1