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

Systemtic Name: phenacyl 2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoate Openeye Name: phenacyl 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 phenacyl ester IUPAC Name: phenacyl 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 phenacyl ester Formula: C18H14N2O7 MolecularWeight: 370.31296

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14N2O7/c21-15(12-4-2-1-3-5-12)10-27-18(23)9-19-14-8-13(20(24)25)6-7-16(14)26-11-17(19)22/h1-8H,9-11H2