(2R)-2-[(2R)-2-methyl-6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl]propanoic acid

Systemtic Name: (2R)-2-[(2R)-2-methyl-6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl]propanoic acid Openeye Name: (2R)-2-[(2R)-2-methyl-6-nitro-3-oxo-1,4-benzoxazin-4-yl]propanoic acid CAS Name: (2R)-2-[(2R)-2-methyl-6-nitro-3-oxo-1,4-benzoxazin-4-yl]propanoic acid IUPAC Name: (2R)-2-[(2R)-2-methyl-6-nitro-3-oxo-1,4-benzoxazin-4-yl]propanoic acid Traditional Name: (2R)-2-[(2R)-3-keto-2-methyl-6-nitro-1,4-benzoxazin-4-yl]propionic acid Formula: C12H12N2O6 MolecularWeight: 280.23348

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=C(O1)C=CC(=C2)[N+](=O)[O-])C(C)C(=O)O

Isomeric SMILES

C[C@@H]1C(=O)N(C2=C(O1)C=CC(=C2)[N+](=O)[O-])[C@H](C)C(=O)O

InChI

InChI=1S/C12H12N2O6/c1-6(12(16)17)13-9-5-8(14(18)19)3-4-10(9)20-7(2)11(13)15/h3-7H,1-2H3,(H,16,17)/t6-,7-/m1/s1