(2-nitrophenyl)methyl 2-(furan-2-ylcarbonylamino)-3-methyl-butanoate

Systemtic Name: (2-nitrophenyl)methyl 2-(furan-2-ylcarbonylamino)-3-methyl-butanoate Openeye Name: (2-nitrophenyl)methyl 2-(furan-2-carbonylamino)-3-methyl-butanoate CAS Name: 2-[[2-furanyl(oxo)methyl]amino]-3-methylbutanoic acid (2-nitrophenyl)methyl ester IUPAC Name: (2-nitrophenyl)methyl 2-(furan-2-carbonylamino)-3-methylbutanoate Traditional Name: 2-(2-furoylamino)-3-methyl-butyric acid (2-nitrobenzyl) ester Formula: C17H18N2O6 MolecularWeight: 346.33462

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CC=CC=C1[N+](=O)[O-])NC(=O)C2=CC=CO2

Isomeric SMILES

CC(C)C(C(=O)OCC1=CC=CC=C1[N+](=O)[O-])NC(=O)C2=CC=CO2

InChI

InChI=1S/C17H18N2O6/c1-11(2)15(18-16(20)14-8-5-9-24-14)17(21)25-10-12-6-3-4-7-13(12)19(22)23/h3-9,11,15H,10H2,1-2H3,(H,18,20)