methyl 3-methyl-2-[(2-methyl-3-nitro-phenyl)methylamino]butanoate

Systemtic Name: methyl 3-methyl-2-[(2-methyl-3-nitro-phenyl)methylamino]butanoate Openeye Name: methyl 3-methyl-2-[(2-methyl-3-nitro-phenyl)methylamino]butanoate CAS Name: 3-methyl-2-[(2-methyl-3-nitrophenyl)methylamino]butanoic acid methyl ester IUPAC Name: methyl 3-methyl-2-[(2-methyl-3-nitrophenyl)methylamino]butanoate Traditional Name: 3-methyl-2-[(2-methyl-3-nitro-benzyl)amino]butyric acid methyl ester Formula: C14H20N2O4 MolecularWeight: 280.3196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])CNC(C(C)C)C(=O)OC

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])CNC(C(C)C)C(=O)OC

InChI

InChI=1S/C14H20N2O4/c1-9(2)13(14(17)20-4)15-8-11-6-5-7-12(10(11)3)16(18)19/h5-7,9,13,15H,8H2,1-4H3