(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(furan-2-ylmethylamino)benzoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(furan-2-ylmethylamino)benzoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(2-furylmethylamino)benzoate CAS Name: 2-(2-furanylmethylamino)benzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(furan-2-ylmethylamino)benzoate Traditional Name: 2-(2-furfurylamino)benzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C21H18N2O7 MolecularWeight: 410.37682

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=CC=CC=C3NCC4=CC=CO4)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=CC=CC=C3NCC4=CC=CO4)[N+](=O)[O-]

InChI

InChI=1S/C21H18N2O7/c24-21(18-5-1-2-6-19(18)22-10-17-4-3-7-28-17)29-12-15-9-16(23(25)26)8-14-11-27-13-30-20(14)15/h1-9,22H,10-13H2