ethyl 2-[(2-methyl-6-nitro-phenyl)methylamino]-3-oxidanyl-propanoate

Systemtic Name: ethyl 2-[(2-methyl-6-nitro-phenyl)methylamino]-3-oxidanyl-propanoate Openeye Name: ethyl 3-hydroxy-2-[(2-methyl-6-nitro-phenyl)methylamino]propanoate CAS Name: 3-hydroxy-2-[(2-methyl-6-nitrophenyl)methylamino]propanoic acid ethyl ester IUPAC Name: ethyl 3-hydroxy-2-[(2-methyl-6-nitrophenyl)methylamino]propanoate Traditional Name: 3-hydroxy-2-[(2-methyl-6-nitro-benzyl)amino]propionic acid ethyl ester Formula: C13H18N2O5 MolecularWeight: 282.29242

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CO)NCC1=C(C=CC=C1[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C(CO)NCC1=C(C=CC=C1[N+](=O)[O-])C

InChI

InChI=1S/C13H18N2O5/c1-3-20-13(17)11(8-16)14-7-10-9(2)5-4-6-12(10)15(18)19/h4-6,11,14,16H,3,7-8H2,1-2H3