5-(diethoxymethyl)-6-methyl-4-(3-nitrophenyl)-6-oxidanyl-3a,4,5,7-tetrahydro-2H-indazol-3-one

Systemtic Name: 5-(diethoxymethyl)-6-methyl-4-(3-nitrophenyl)-6-oxidanyl-3a,4,5,7-tetrahydro-2H-indazol-3-one Openeye Name: 5-(diethoxymethyl)-6-hydroxy-6-methyl-4-(3-nitrophenyl)-3a,4,5,7-tetrahydro-2H-indazol-3-one CAS Name: 5-(diethoxymethyl)-6-hydroxy-6-methyl-4-(3-nitrophenyl)-3a,4,5,7-tetrahydro-2H-indazol-3-one IUPAC Name: 5-(diethoxymethyl)-6-hydroxy-6-methyl-4-(3-nitrophenyl)-3a,4,5,7-tetrahydro-2H-indazol-3-one Traditional Name: 5-(diethoxymethyl)-6-hydroxy-6-methyl-4-(3-nitrophenyl)-3a,4,5,7-tetrahydro-2H-indazol-3-one Formula: C19H25N3O6 MolecularWeight: 391.4183

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(C1C(C2C(=NNC2=O)CC1(C)O)C3=CC(=CC=C3)[N+](=O)[O-])OCC

Isomeric SMILES

CCOC(C1C(C2C(=NNC2=O)CC1(C)O)C3=CC(=CC=C3)[N+](=O)[O-])OCC

InChI

InChI=1S/C19H25N3O6/c1-4-27-18(28-5-2)16-14(11-7-6-8-12(9-11)22(25)26)15-13(10-19(16,3)24)20-21-17(15)23/h6-9,14-16,18,24H,4-5,10H2,1-3H3,(H,21,23)