methyl (2S,3R)-3-(1H-indol-3-yl)-2-nitro-3-phenyl-propanoate

Systemtic Name: methyl (2S,3R)-3-(1H-indol-3-yl)-2-nitro-3-phenyl-propanoate Openeye Name: methyl (2S,3R)-3-(1H-indol-3-yl)-2-nitro-3-phenyl-propanoate CAS Name: (2S,3R)-3-(1H-indol-3-yl)-2-nitro-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S,3R)-3-(1H-indol-3-yl)-2-nitro-3-phenylpropanoate Traditional Name: (2S,3R)-3-(1H-indol-3-yl)-2-nitro-3-phenyl-propionic acid methyl ester Formula: C18H16N2O4 MolecularWeight: 324.33064

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C(C1=CC=CC=C1)C2=CNC3=CC=CC=C32)[N+](=O)[O-]

Isomeric SMILES

COC(=O)[C@H]([C@H](C1=CC=CC=C1)C2=CNC3=CC=CC=C32)[N+](=O)[O-]

InChI

InChI=1S/C18H16N2O4/c1-24-18(21)17(20(22)23)16(12-7-3-2-4-8-12)14-11-19-15-10-6-5-9-13(14)15/h2-11,16-17,19H,1H3/t16-,17+/m1/s1