2,3-dihydro-1,4-benzodioxin-3-ylmethyl 2-[(5-nitrofuran-2-yl)carbonylamino]benzoate

Systemtic Name: 2,3-dihydro-1,4-benzodioxin-3-ylmethyl 2-[(5-nitrofuran-2-yl)carbonylamino]benzoate Openeye Name: 2,3-dihydro-1,4-benzodioxin-3-ylmethyl 2-[(5-nitrofuran-2-carbonyl)amino]benzoate CAS Name: 2-[[(5-nitro-2-furanyl)-oxomethyl]amino]benzoic acid 2,3-dihydro-1,4-benzodioxin-3-ylmethyl ester IUPAC Name: 2,3-dihydro-1,4-benzodioxin-3-ylmethyl 2-[(5-nitrofuran-2-carbonyl)amino]benzoate Traditional Name: 2-[(5-nitro-2-furoyl)amino]benzoic acid 2,3-dihydro-1,4-benzodioxin-3-ylmethyl ester Formula: C21H16N2O8 MolecularWeight: 424.36034

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)COC(=O)C3=CC=CC=C3NC(=O)C4=CC=C(O4)[N+](=O)[O-]

Isomeric SMILES

C1C(OC2=CC=CC=C2O1)COC(=O)C3=CC=CC=C3NC(=O)C4=CC=C(O4)[N+](=O)[O-]

InChI

InChI=1S/C21H16N2O8/c24-20(18-9-10-19(31-18)23(26)27)22-15-6-2-1-5-14(15)21(25)29-12-13-11-28-16-7-3-4-8-17(16)30-13/h1-10,13H,11-12H2,(H,22,24)