(7-chloranyl-1,3-benzodioxol-5-yl)methyl 3-(furan-2-ylcarbonylamino)-4-methyl-benzoate

Systemtic Name: (7-chloranyl-1,3-benzodioxol-5-yl)methyl 3-(furan-2-ylcarbonylamino)-4-methyl-benzoate Openeye Name: (7-chloro-1,3-benzodioxol-5-yl)methyl 3-(furan-2-carbonylamino)-4-methyl-benzoate CAS Name: 3-[[2-furanyl(oxo)methyl]amino]-4-methylbenzoic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (7-chloro-1,3-benzodioxol-5-yl)methyl 3-(furan-2-carbonylamino)-4-methylbenzoate Traditional Name: 3-(2-furoylamino)-4-methyl-benzoic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester Formula: C21H16ClNO6 MolecularWeight: 413.80784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC2=CC3=C(C(=C2)Cl)OCO3)NC(=O)C4=CC=CO4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC2=CC3=C(C(=C2)Cl)OCO3)NC(=O)C4=CC=CO4

InChI

InChI=1S/C21H16ClNO6/c1-12-4-5-14(9-16(12)23-20(24)17-3-2-6-26-17)21(25)27-10-13-7-15(22)19-18(8-13)28-11-29-19/h2-9H,10-11H2,1H3,(H,23,24)