(6S,6aS,9aS)-6,9a-dimethyl-3'-(4-nitrophenyl)-6a-oxidanyl-spiro[4,5,6,9b-tetrahydro-3aH-azuleno[8,7-b]furan-3,5'-4H-1,2-oxazole]-2,9-dione

Systemtic Name: (6S,6aS,9aS)-6,9a-dimethyl-3'-(4-nitrophenyl)-6a-oxidanyl-spiro[4,5,6,9b-tetrahydro-3aH-azuleno[8,7-b]furan-3,5'-4H-1,2-oxazole]-2,9-dione Openeye Name: (6S,6aS,9aS)-6a-hydroxy-6,9a-dimethyl-3'-(4-nitrophenyl)spiro[4,5,6,9b-tetrahydro-3aH-azuleno[8,7-b]furan-3,5'-4H-isoxazole]-2,9-dione CAS Name: (6S,6aS,9aS)-6a-hydroxy-6,9a-dimethyl-3'-(4-nitrophenyl)spiro[4,5,6,9b-tetrahydro-3aH-azuleno[8,7-b]furan-3,5'-4H-isoxazole]-2,9-dione IUPAC Name: (6S,6aS,9aS)-6a-hydroxy-6,9a-dimethyl-3'-(4-nitrophenyl)spiro[4,5,6,9b-tetrahydro-3aH-azuleno[8,7-b]furan-3,5'-4H-1,2-oxazole]-2,9-dione Traditional Name: (6'S,6'aS,9'aS)-6'a-hydroxy-6',9'a-dimethyl-3-(4-nitrophenyl)spiro[2-isoxazoline-5,3'-4,5,6,9b-tetrahydro-3aH-azuleno[8,7-b]furan]-2',9'-quinone Formula: C22H22N2O7 MolecularWeight: 426.41928

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2C(C3(C1(C=CC3=O)O)C)OC(=O)C24CC(=NO4)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCC2C([C@]3([C@]1(C=CC3=O)O)C)OC(=O)C24CC(=NO4)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C22H22N2O7/c1-12-3-8-15-18(20(2)17(25)9-10-22(12,20)27)30-19(26)21(15)11-16(23-31-21)13-4-6-14(7-5-13)24(28)29/h4-7,9-10,12,15,18,27H,3,8,11H2,1-2H3/t12-,15?,18?,20-,21?,22+/m0/s1