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

Systemtic Name: (4-nitrophenyl) 3-methyl-2-[[methyl(pyridin-3-ylmethyl)carbamoyl]amino]butanoate Openeye Name: (4-nitrophenyl) 3-methyl-2-[[methyl(3-pyridylmethyl)carbamoyl]amino]butanoate CAS Name: 3-methyl-2-[[[methyl(3-pyridinylmethyl)amino]-oxomethyl]amino]butanoic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 3-methyl-2-[[methyl(pyridin-3-ylmethyl)carbamoyl]amino]butanoate Traditional Name: 3-methyl-2-[[methyl(3-pyridylmethyl)carbamoyl]amino]butyric acid (4-nitrophenyl) ester Formula: C19H22N4O5 MolecularWeight: 386.40178

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)N(C)CC2=CN=CC=C2

Isomeric SMILES

CC(C)C(C(=O)OC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)N(C)CC2=CN=CC=C2

InChI

InChI=1S/C19H22N4O5/c1-13(2)17(18(24)28-16-8-6-15(7-9-16)23(26)27)21-19(25)22(3)12-14-5-4-10-20-11-14/h4-11,13,17H,12H2,1-3H3,(H,21,25)