1,3-benzodioxol-5-yl 2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoate

Systemtic Name: 1,3-benzodioxol-5-yl 2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoate Openeye Name: 1,3-benzodioxol-5-yl 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 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl 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 1,3-benzodioxol-5-yl ester Formula: C17H12N2O8 MolecularWeight: 372.28578

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C2=C(O1)C=CC(=C2)[N+](=O)[O-])CC(=O)OC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1C(=O)N(C2=C(O1)C=CC(=C2)[N+](=O)[O-])CC(=O)OC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C17H12N2O8/c20-16-8-24-13-3-1-10(19(22)23)5-12(13)18(16)7-17(21)27-11-2-4-14-15(6-11)26-9-25-14/h1-6H,7-9H2