ethyl (2R)-2-methyl-7-nitro-3-oxidanylidene-4H-1,4-benzoxazine-2-carboxylate

Systemtic Name: ethyl (2R)-2-methyl-7-nitro-3-oxidanylidene-4H-1,4-benzoxazine-2-carboxylate Openeye Name: ethyl (2R)-2-methyl-7-nitro-3-oxo-4H-1,4-benzoxazine-2-carboxylate CAS Name: (2R)-2-methyl-7-nitro-3-oxo-4H-1,4-benzoxazine-2-carboxylic acid ethyl ester IUPAC Name: ethyl (2R)-2-methyl-7-nitro-3-oxo-4H-1,4-benzoxazine-2-carboxylate Traditional Name: (2R)-3-keto-2-methyl-7-nitro-4H-1,4-benzoxazine-2-carboxylic acid ethyl ester Formula: C12H12N2O6 MolecularWeight: 280.23348

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(C(=O)NC2=C(O1)C=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)[C@]1(C(=O)NC2=C(O1)C=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C12H12N2O6/c1-3-19-11(16)12(2)10(15)13-8-5-4-7(14(17)18)6-9(8)20-12/h4-6H,3H2,1-2H3,(H,13,15)/t12-/m1/s1