(3aS,7aR)-2-(4-methylphenyl)-3a-nitro-3-phenyl-4,5,6,7a-tetrahydro-3H-1,2-benzoxazol-7-one

Systemtic Name: (3aS,7aR)-2-(4-methylphenyl)-3a-nitro-3-phenyl-4,5,6,7a-tetrahydro-3H-1,2-benzoxazol-7-one Openeye Name: (3aS,7aR)-3a-nitro-3-phenyl-2-(p-tolyl)-4,5,6,7a-tetrahydro-3H-1,2-benzoxazol-7-one CAS Name: (3aS,7aR)-2-(4-methylphenyl)-3a-nitro-3-phenyl-4,5,6,7a-tetrahydro-3H-1,2-benzoxazol-7-one IUPAC Name: (3aS,7aR)-2-(4-methylphenyl)-3a-nitro-3-phenyl-4,5,6,7a-tetrahydro-3H-1,2-benzoxazol-7-one Traditional Name: (3aS,7aR)-3a-nitro-3-phenyl-2-(p-tolyl)-4,5,6,7a-tetrahydro-3H-indoxazen-7-one Formula: C20H20N2O4 MolecularWeight: 352.3838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(C3(CCCC(=O)C3O2)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)N2C([C@]3(CCCC(=O)[C@@H]3O2)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C20H20N2O4/c1-14-9-11-16(12-10-14)21-18(15-6-3-2-4-7-15)20(22(24)25)13-5-8-17(23)19(20)26-21/h2-4,6-7,9-12,18-19H,5,8,13H2,1H3/t18?,19-,20-/m0/s1