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

Systemtic Name: 2-phenoxyethyl 2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoate Openeye Name: 2-phenoxyethyl 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 2-phenoxyethyl ester IUPAC Name: 2-phenoxyethyl 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 2-phenoxyethyl ester Formula: C18H16N2O7 MolecularWeight: 372.32884

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C2=C(O1)C=CC(=C2)[N+](=O)[O-])CC(=O)OCCOC3=CC=CC=C3

Isomeric SMILES

C1C(=O)N(C2=C(O1)C=CC(=C2)[N+](=O)[O-])CC(=O)OCCOC3=CC=CC=C3

InChI

InChI=1S/C18H16N2O7/c21-17-12-27-16-7-6-13(20(23)24)10-15(16)19(17)11-18(22)26-9-8-25-14-4-2-1-3-5-14/h1-7,10H,8-9,11-12H2