methyl 2-(3-morpholin-4-yl-5-nitro-1-benzofuran-2-yl)ethanoate

Systemtic Name: methyl 2-(3-morpholin-4-yl-5-nitro-1-benzofuran-2-yl)ethanoate Openeye Name: methyl 2-(3-morpholino-5-nitro-benzofuran-2-yl)acetate CAS Name: 2-[3-(4-morpholinyl)-5-nitro-2-benzofuranyl]acetic acid methyl ester IUPAC Name: methyl 2-(3-morpholin-4-yl-5-nitro-1-benzofuran-2-yl)acetate Traditional Name: 2-(3-morpholino-5-nitro-benzofuran-2-yl)acetic acid methyl ester Formula: C15H16N2O6 MolecularWeight: 320.29734

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=C(C2=C(O1)C=CC(=C2)[N+](=O)[O-])N3CCOCC3

Isomeric SMILES

COC(=O)CC1=C(C2=C(O1)C=CC(=C2)[N+](=O)[O-])N3CCOCC3

InChI

InChI=1S/C15H16N2O6/c1-21-14(18)9-13-15(16-4-6-22-7-5-16)11-8-10(17(19)20)2-3-12(11)23-13/h2-3,8H,4-7,9H2,1H3