(3E)-1-(4-nitrophenyl)-3-(phenylmethylidene)-3a,4,5,7a-tetrahydroindol-2-one

Systemtic Name: (3E)-1-(4-nitrophenyl)-3-(phenylmethylidene)-3a,4,5,7a-tetrahydroindol-2-one Openeye Name: (3E)-3-benzylidene-1-(4-nitrophenyl)-3a,4,5,7a-tetrahydroindol-2-one CAS Name: (3E)-1-(4-nitrophenyl)-3-(phenylmethylene)-3a,4,5,7a-tetrahydroindol-2-one IUPAC Name: (3E)-3-benzylidene-1-(4-nitrophenyl)-3a,4,5,7a-tetrahydroindol-2-one Traditional Name: (3E)-3-benzal-1-(4-nitrophenyl)-3a,4,5,7a-tetrahydroindol-2-one Formula: C21H18N2O3 MolecularWeight: 346.37922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2C(C=C1)N(C(=O)C2=CC3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CC\2C(C=C1)N(C(=O)/C2=C/C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H18N2O3/c24-21-19(14-15-6-2-1-3-7-15)18-8-4-5-9-20(18)22(21)16-10-12-17(13-11-16)23(25)26/h1-3,5-7,9-14,18,20H,4,8H2/b19-14+