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

Systemtic Name: ethyl (3aS,7aR)-5-methyl-3a-nitro-3-phenyl-4,7-dihydro-1,2-benzoxazole-7a-carboxylate Openeye Name: ethyl (3aS,7aR)-5-methyl-3a-nitro-3-phenyl-4,7-dihydro-1,2-benzoxazole-7a-carboxylate CAS Name: (3aS,7aR)-5-methyl-3a-nitro-3-phenyl-4,7-dihydro-1,2-benzoxazole-7a-carboxylic acid ethyl ester IUPAC Name: ethyl (3aS,7aR)-5-methyl-3a-nitro-3-phenyl-4,7-dihydro-1,2-benzoxazole-7a-carboxylate Traditional Name: (3aS,7aR)-5-methyl-3a-nitro-3-phenyl-4,7-dihydroindoxazene-7a-carboxylic acid ethyl ester Formula: C17H18N2O5 MolecularWeight: 330.33522

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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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O5/c1-3-23-15(20)17-10-9-12(2)11-16(17,19(21)22)14(18-24-17)13-7-5-4-6-8-13/h4-9H,3,10-11H2,1-2H3/t16-,17-/m0/s1