ethyl (2S)-2-azanyl-3-(4-methoxy-3-nitro-phenyl)propanoate

Systemtic Name: ethyl (2S)-2-azanyl-3-(4-methoxy-3-nitro-phenyl)propanoate Openeye Name: ethyl (2S)-2-amino-3-(4-methoxy-3-nitro-phenyl)propanoate CAS Name: (2S)-2-amino-3-(4-methoxy-3-nitrophenyl)propanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-amino-3-(4-methoxy-3-nitrophenyl)propanoate Traditional Name: (2S)-2-amino-3-(4-methoxy-3-nitro-phenyl)propionic acid ethyl ester Formula: C12H16N2O5 MolecularWeight: 268.26584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N2O5/c1-3-19-12(15)9(13)6-8-4-5-11(18-2)10(7-8)14(16)17/h4-5,7,9H,3,6,13H2,1-2H3/t9-/m0/s1