methyl (2S,3S)-2-methoxy-3-[(4-nitrophenyl)amino]-3-phenyl-propanoate

Systemtic Name: methyl (2S,3S)-2-methoxy-3-[(4-nitrophenyl)amino]-3-phenyl-propanoate Openeye Name: methyl (2S,3S)-2-methoxy-3-(4-nitroanilino)-3-phenyl-propanoate CAS Name: (2S,3S)-2-methoxy-3-(4-nitroanilino)-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S,3S)-2-methoxy-3-(4-nitroanilino)-3-phenylpropanoate Traditional Name: (2S,3S)-2-methoxy-3-(4-nitroanilino)-3-phenyl-propionic acid methyl ester Formula: C17H18N2O5 MolecularWeight: 330.33522

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Descriptors Computed from Structure

Canonical SMILES:

COC(C(C1=CC=CC=C1)NC2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CO[C@@H]([C@H](C1=CC=CC=C1)NC2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C17H18N2O5/c1-23-16(17(20)24-2)15(12-6-4-3-5-7-12)18-13-8-10-14(11-9-13)19(21)22/h3-11,15-16,18H,1-2H3/t15-,16-/m0/s1