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

Systemtic Name: (4-nitrophenyl) 3-methyl-2-[[methyl-(phenylmethyl)carbamoyl]amino]butanoate Openeye Name: (4-nitrophenyl) 2-[[benzyl(methyl)carbamoyl]amino]-3-methyl-butanoate CAS Name: 3-methyl-2-[[[methyl-(phenylmethyl)amino]-oxomethyl]amino]butanoic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 2-[[benzyl(methyl)carbamoyl]amino]-3-methylbutanoate Traditional Name: 2-[[benzyl(methyl)carbamoyl]amino]-3-methyl-butyric acid (4-nitrophenyl) ester Formula: C20H23N3O5 MolecularWeight: 385.41372

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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=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O5/c1-14(2)18(19(24)28-17-11-9-16(10-12-17)23(26)27)21-20(25)22(3)13-15-7-5-4-6-8-15/h4-12,14,18H,13H2,1-3H3,(H,21,25)