2-methyl-6-nitro-2,3-dihydroinden-1-one; 6-prop-2-enoxy-2,3-dihydroinden-1-one

Systemtic Name: 2-methyl-6-nitro-2,3-dihydroinden-1-one; 6-prop-2-enoxy-2,3-dihydroinden-1-one Openeye Name: 6-allyloxyindan-1-one; 2-methyl-6-nitro-indan-1-one CAS Name: 2-methyl-6-nitro-2,3-dihydroinden-1-one; 6-prop-2-enoxy-2,3-dihydroinden-1-one IUPAC Name: 2-methyl-6-nitro-2,3-dihydroinden-1-one; 6-prop-2-enoxy-2,3-dihydroinden-1-one Traditional Name: 6-allyloxyindan-1-one; 2-methyl-6-nitro-indan-1-one Formula: C22H21NO5 MolecularWeight: 379.40584

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(C1=O)C=C(C=C2)[N+](=O)[O-].C=CCOC1=CC2=C(CCC2=O)C=C1

Isomeric SMILES

CC1CC2=C(C1=O)C=C(C=C2)[N+](=O)[O-].C=CCOC1=CC2=C(CCC2=O)C=C1

InChI

InChI=1S/C12H12O2.C10H9NO3/c1-2-7-14-10-5-3-9-4-6-12(13)11(9)8-10;1-6-4-7-2-3-8(11(13)14)5-9(7)10(6)12/h2-3,5,8H,1,4,6-7H2;2-3,5-6H,4H2,1H3