ethyl 2-(6-chloranyl-7-nitro-3-oxidanylidene-4H-1,4-benzoxazin-2-yl)ethanoate

Systemtic Name: ethyl 2-(6-chloranyl-7-nitro-3-oxidanylidene-4H-1,4-benzoxazin-2-yl)ethanoate Openeye Name: ethyl 2-(6-chloro-7-nitro-3-oxo-4H-1,4-benzoxazin-2-yl)acetate CAS Name: 2-(6-chloro-7-nitro-3-oxo-4H-1,4-benzoxazin-2-yl)acetic acid ethyl ester IUPAC Name: ethyl 2-(6-chloro-7-nitro-3-oxo-4H-1,4-benzoxazin-2-yl)acetate Traditional Name: 2-(6-chloro-3-keto-7-nitro-4H-1,4-benzoxazin-2-yl)acetic acid ethyl ester Formula: C12H11ClN2O6 MolecularWeight: 314.67854

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1C(=O)NC2=CC(=C(C=C2O1)[N+](=O)[O-])Cl

Isomeric SMILES

CCOC(=O)CC1C(=O)NC2=CC(=C(C=C2O1)[N+](=O)[O-])Cl

InChI

InChI=1S/C12H11ClN2O6/c1-2-20-11(16)5-10-12(17)14-7-3-6(13)8(15(18)19)4-9(7)21-10/h3-4,10H,2,5H2,1H3,(H,14,17)