(4-nitrophenyl)methyl 2-[2-(3-chlorophenyl)ethoxycarbonylamino]-3-methyl-butanoate

Systemtic Name: (4-nitrophenyl)methyl 2-[2-(3-chlorophenyl)ethoxycarbonylamino]-3-methyl-butanoate Openeye Name: (4-nitrophenyl)methyl 2-[2-(3-chlorophenyl)ethoxycarbonylamino]-3-methyl-butanoate CAS Name: 2-[[2-(3-chlorophenyl)ethoxy-oxomethyl]amino]-3-methylbutanoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[2-(3-chlorophenyl)ethoxycarbonylamino]-3-methylbutanoate Traditional Name: 2-[2-(3-chlorophenyl)ethoxycarbonylamino]-3-methyl-butyric acid (4-nitrobenzyl) ester Formula: C21H23ClN2O6 MolecularWeight: 434.87012

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)OCCC2=CC(=CC=C2)Cl

Isomeric SMILES

CC(C)C(C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)OCCC2=CC(=CC=C2)Cl

InChI

InChI=1S/C21H23ClN2O6/c1-14(2)19(20(25)30-13-16-6-8-18(9-7-16)24(27)28)23-21(26)29-11-10-15-4-3-5-17(22)12-15/h3-9,12,14,19H,10-11,13H2,1-2H3,(H,23,26)