7-ethyl-3-(3-nitrophenyl)-2-(phenylmethyl)-3a,6,7,7a-tetrahydro-3H-isoindol-1-one

Systemtic Name: 7-ethyl-3-(3-nitrophenyl)-2-(phenylmethyl)-3a,6,7,7a-tetrahydro-3H-isoindol-1-one Openeye Name: 2-benzyl-7-ethyl-3-(3-nitrophenyl)-3a,6,7,7a-tetrahydro-3H-isoindol-1-one CAS Name: 7-ethyl-3-(3-nitrophenyl)-2-(phenylmethyl)-3a,6,7,7a-tetrahydro-3H-isoindol-1-one IUPAC Name: 2-benzyl-7-ethyl-3-(3-nitrophenyl)-3a,6,7,7a-tetrahydro-3H-isoindol-1-one Traditional Name: 2-benzyl-7-ethyl-3-(3-nitrophenyl)-3a,6,7,7a-tetrahydro-3H-isoindol-1-one Formula: C23H24N2O3 MolecularWeight: 376.44826

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CC=CC2C1C(=O)N(C2C3=CC(=CC=C3)[N+](=O)[O-])CC4=CC=CC=C4

Isomeric SMILES

CCC1CC=CC2C1C(=O)N(C2C3=CC(=CC=C3)[N+](=O)[O-])CC4=CC=CC=C4

InChI

InChI=1S/C23H24N2O3/c1-2-17-10-7-13-20-21(17)23(26)24(15-16-8-4-3-5-9-16)22(20)18-11-6-12-19(14-18)25(27)28/h3-9,11-14,17,20-22H,2,10,15H2,1H3