methyl 3-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)propanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN1C(=O)COC2=C1C=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CCN1C(=O)COC2=C1C=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H12N2O6/c1-19-12(16)4-5-13-9-6-8(14(17)18)2-3-10(9)20-7-11(13)15/h2-3,6H,4-5,7H2,1H3