methyl 3-[2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoyloxymethyl]benzoate

Systemtic Name: methyl 3-[2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoyloxymethyl]benzoate Openeye Name: methyl 3-[[2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetyl]oxymethyl]benzoate CAS Name: 3-[[2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)-1-oxoethoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetyl]oxymethyl]benzoate Traditional Name: 3-[[2-(3-keto-6-nitro-1,4-benzoxazin-4-yl)acetyl]oxymethyl]benzoic acid methyl ester Formula: C19H16N2O8 MolecularWeight: 400.33894

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)COC(=O)CN2C(=O)COC3=C2C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)COC(=O)CN2C(=O)COC3=C2C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H16N2O8/c1-27-19(24)13-4-2-3-12(7-13)10-29-18(23)9-20-15-8-14(21(25)26)5-6-16(15)28-11-17(20)22/h2-8H,9-11H2,1H3