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

Systemtic Name: 7-methyl-3-(3-nitrophenyl)-2-(phenylmethyl)-3a,6,7,7a-tetrahydro-3H-isoindol-1-one Openeye Name: 2-benzyl-7-methyl-3-(3-nitrophenyl)-3a,6,7,7a-tetrahydro-3H-isoindol-1-one CAS Name: 7-methyl-3-(3-nitrophenyl)-2-(phenylmethyl)-3a,6,7,7a-tetrahydro-3H-isoindol-1-one IUPAC Name: 2-benzyl-7-methyl-3-(3-nitrophenyl)-3a,6,7,7a-tetrahydro-3H-isoindol-1-one Traditional Name: 2-benzyl-7-methyl-3-(3-nitrophenyl)-3a,6,7,7a-tetrahydro-3H-isoindol-1-one Formula: C22H22N2O3 MolecularWeight: 362.42168

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC=CC2C1C(=O)N(C2C3=CC(=CC=C3)[N+](=O)[O-])CC4=CC=CC=C4

Isomeric SMILES

CC1CC=CC2C1C(=O)N(C2C3=CC(=CC=C3)[N+](=O)[O-])CC4=CC=CC=C4

InChI

InChI=1S/C22H22N2O3/c1-15-7-5-12-19-20(15)22(25)23(14-16-8-3-2-4-9-16)21(19)17-10-6-11-18(13-17)24(26)27/h2-6,8-13,15,19-21H,7,14H2,1H3