ethyl (3aS,7aR)-5,6-dimethyl-3a-nitro-3-phenyl-4,7-dihydro-1,2-benzoxazole-7a-carboxylate

Systemtic Name: ethyl (3aS,7aR)-5,6-dimethyl-3a-nitro-3-phenyl-4,7-dihydro-1,2-benzoxazole-7a-carboxylate Openeye Name: ethyl (3aS,7aR)-5,6-dimethyl-3a-nitro-3-phenyl-4,7-dihydro-1,2-benzoxazole-7a-carboxylate CAS Name: (3aS,7aR)-5,6-dimethyl-3a-nitro-3-phenyl-4,7-dihydro-1,2-benzoxazole-7a-carboxylic acid ethyl ester IUPAC Name: ethyl (3aS,7aR)-5,6-dimethyl-3a-nitro-3-phenyl-4,7-dihydro-1,2-benzoxazole-7a-carboxylate Traditional Name: (3aS,7aR)-5,6-dimethyl-3a-nitro-3-phenyl-4,7-dihydroindoxazene-7a-carboxylic acid ethyl ester Formula: C18H20N2O5 MolecularWeight: 344.3618

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C12CC(=C(CC1(C(=NO2)C3=CC=CC=C3)[N+](=O)[O-])C)C

Isomeric SMILES

CCOC(=O)[C@@]12CC(=C(C[C@@]1(C(=NO2)C3=CC=CC=C3)[N+](=O)[O-])C)C

InChI

InChI=1S/C18H20N2O5/c1-4-24-16(21)18-11-13(3)12(2)10-17(18,20(22)23)15(19-25-18)14-8-6-5-7-9-14/h5-9H,4,10-11H2,1-3H3/t17-,18-/m0/s1