methyl (2S)-2-acetamido-3-(4-methoxy-2-nitro-phenyl)propanoate

Systemtic Name: methyl (2S)-2-acetamido-3-(4-methoxy-2-nitro-phenyl)propanoate Openeye Name: methyl (2S)-2-acetamido-3-(4-methoxy-2-nitro-phenyl)propanoate CAS Name: (2S)-2-acetamido-3-(4-methoxy-2-nitrophenyl)propanoic acid methyl ester IUPAC Name: methyl (2S)-2-acetamido-3-(4-methoxy-2-nitrophenyl)propanoate Traditional Name: (2S)-2-acetamido-3-(4-methoxy-2-nitro-phenyl)propionic acid methyl ester Formula: C13H16N2O6 MolecularWeight: 296.27594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O6/c1-8(16)14-11(13(17)21-3)6-9-4-5-10(20-2)7-12(9)15(18)19/h4-5,7,11H,6H2,1-3H3,(H,14,16)/t11-/m0/s1