[2-(1-benzofuran-2-yl)-2-oxidanylidene-ethyl] 4-(2-methoxyethylamino)-3-nitro-benzoate

Systemtic Name: [2-(1-benzofuran-2-yl)-2-oxidanylidene-ethyl] 4-(2-methoxyethylamino)-3-nitro-benzoate Openeye Name: [2-(benzofuran-2-yl)-2-oxo-ethyl] 4-(2-methoxyethylamino)-3-nitro-benzoate CAS Name: 4-(2-methoxyethylamino)-3-nitrobenzoic acid [2-(2-benzofuranyl)-2-oxoethyl] ester IUPAC Name: [2-(1-benzofuran-2-yl)-2-oxoethyl] 4-(2-methoxyethylamino)-3-nitrobenzoate Traditional Name: 4-(2-methoxyethylamino)-3-nitro-benzoic acid [2-(benzofuran-2-yl)-2-keto-ethyl] ester Formula: C20H18N2O7 MolecularWeight: 398.36612

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=C(C=C(C=C1)C(=O)OCC(=O)C2=CC3=CC=CC=C3O2)[N+](=O)[O-]

Isomeric SMILES

COCCNC1=C(C=C(C=C1)C(=O)OCC(=O)C2=CC3=CC=CC=C3O2)[N+](=O)[O-]

InChI

InChI=1S/C20H18N2O7/c1-27-9-8-21-15-7-6-14(10-16(15)22(25)26)20(24)28-12-17(23)19-11-13-4-2-3-5-18(13)29-19/h2-7,10-11,21H,8-9,12H2,1H3