(3,4-dichlorophenyl)methyl 2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoate

Systemtic Name: (3,4-dichlorophenyl)methyl 2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoate Openeye Name: (3,4-dichlorophenyl)methyl 2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetate CAS Name: 2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetic acid (3,4-dichlorophenyl)methyl ester IUPAC Name: (3,4-dichlorophenyl)methyl 2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetate Traditional Name: 2-(3-keto-6-nitro-1,4-benzoxazin-4-yl)acetic acid (3,4-dichlorobenzyl) ester Formula: C17H12Cl2N2O6 MolecularWeight: 411.19298

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C2=C(O1)C=CC(=C2)[N+](=O)[O-])CC(=O)OCC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

C1C(=O)N(C2=C(O1)C=CC(=C2)[N+](=O)[O-])CC(=O)OCC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C17H12Cl2N2O6/c18-12-3-1-10(5-13(12)19)8-27-17(23)7-20-14-6-11(21(24)25)2-4-15(14)26-9-16(20)22/h1-6H,7-9H2