ethyl (3aR,4S,7aS)-4-azido-3-ethanoyl-2-oxidanylidene-3a,4,5,7a-tetrahydro-1,3-benzoxazole-6-carboxylate

Systemtic Name: ethyl (3aR,4S,7aS)-4-azido-3-ethanoyl-2-oxidanylidene-3a,4,5,7a-tetrahydro-1,3-benzoxazole-6-carboxylate Openeye Name: ethyl (3aR,4S,7aS)-3-acetyl-4-azido-2-oxo-3a,4,5,7a-tetrahydro-1,3-benzoxazole-6-carboxylate CAS Name: (3aR,4S,7aS)-3-acetyl-4-azido-2-oxo-3a,4,5,7a-tetrahydro-1,3-benzoxazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl (3aR,4S,7aS)-3-acetyl-4-azido-2-oxo-3a,4,5,7a-tetrahydro-1,3-benzoxazole-6-carboxylate Traditional Name: (3aR,4S,7aS)-3-acetyl-4-azido-2-keto-3a,4,5,7a-tetrahydro-1,3-benzoxazole-6-carboxylic acid ethyl ester Formula: C12H14N4O5 MolecularWeight: 294.26336

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2C(C(C1)N=[N+]=[N-])N(C(=O)O2)C(=O)C

Isomeric SMILES

CCOC(=O)C1=C[C@H]2[C@@H]([C@H](C1)N=[N+]=[N-])N(C(=O)O2)C(=O)C

InChI

InChI=1S/C12H14N4O5/c1-3-20-11(18)7-4-8(14-15-13)10-9(5-7)21-12(19)16(10)6(2)17/h5,8-10H,3-4H2,1-2H3/t8-,9-,10+/m0/s1