(4-nitrophenyl) 3-methyl-2-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]pentanoate

Systemtic Name: (4-nitrophenyl) 3-methyl-2-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]pentanoate Openeye Name: (4-nitrophenyl) 3-methyl-2-[[methyl(2-pyridylmethyl)carbamoyl]amino]pentanoate CAS Name: 3-methyl-2-[[[methyl(2-pyridinylmethyl)amino]-oxomethyl]amino]pentanoic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 3-methyl-2-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]pentanoate Traditional Name: 3-methyl-2-[[methyl(2-pyridylmethyl)carbamoyl]amino]valeric acid (4-nitrophenyl) ester Formula: C20H24N4O5 MolecularWeight: 400.42836

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)N(C)CC2=CC=CC=N2

Isomeric SMILES

CCC(C)C(C(=O)OC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)N(C)CC2=CC=CC=N2

InChI

InChI=1S/C20H24N4O5/c1-4-14(2)18(19(25)29-17-10-8-16(9-11-17)24(27)28)22-20(26)23(3)13-15-7-5-6-12-21-15/h5-12,14,18H,4,13H2,1-3H3,(H,22,26)