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

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-(furan-2-ylcarbonylamino)-4-methyl-benzoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-(furan-2-carbonylamino)-4-methyl-benzoate CAS Name: 3-[[2-furanyl(oxo)methyl]amino]-4-methylbenzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-(furan-2-carbonylamino)-4-methylbenzoate Traditional Name: 3-(2-furoylamino)-4-methyl-benzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C22H18N2O8 MolecularWeight: 438.38692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)NC(=O)C4=CC=CO4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)NC(=O)C4=CC=CO4

InChI

InChI=1S/C22H18N2O8/c1-13-4-5-14(9-18(13)23-21(25)19-3-2-6-30-19)22(26)31-11-16-8-17(24(27)28)7-15-10-29-12-32-20(15)16/h2-9H,10-12H2,1H3,(H,23,25)