(4-nitrophenyl)methyl 2-[(4-chlorophenyl)carbonylamino]-4-methyl-pentanoate

Systemtic Name: (4-nitrophenyl)methyl 2-[(4-chlorophenyl)carbonylamino]-4-methyl-pentanoate Openeye Name: (4-nitrophenyl)methyl 2-[(4-chlorobenzoyl)amino]-4-methyl-pentanoate CAS Name: 2-[[(4-chlorophenyl)-oxomethyl]amino]-4-methylpentanoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[(4-chlorobenzoyl)amino]-4-methylpentanoate Traditional Name: 2-[(4-chlorobenzoyl)amino]-4-methyl-valeric acid (4-nitrobenzyl) ester Formula: C20H21ClN2O5 MolecularWeight: 404.84414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN2O5/c1-13(2)11-18(22-19(24)15-5-7-16(21)8-6-15)20(25)28-12-14-3-9-17(10-4-14)23(26)27/h3-10,13,18H,11-12H2,1-2H3,(H,22,24)