methyl (2S,3R)-3-(4-chlorophenyl)-3-(1H-indol-3-yl)-2-nitro-propanoate

Systemtic Name: methyl (2S,3R)-3-(4-chlorophenyl)-3-(1H-indol-3-yl)-2-nitro-propanoate Openeye Name: methyl (2S,3R)-3-(4-chlorophenyl)-3-(1H-indol-3-yl)-2-nitro-propanoate CAS Name: (2S,3R)-3-(4-chlorophenyl)-3-(1H-indol-3-yl)-2-nitropropanoic acid methyl ester IUPAC Name: methyl (2S,3R)-3-(4-chlorophenyl)-3-(1H-indol-3-yl)-2-nitropropanoate Traditional Name: (2S,3R)-3-(4-chlorophenyl)-3-(1H-indol-3-yl)-2-nitro-propionic acid methyl ester Formula: C18H15ClN2O4 MolecularWeight: 358.7757

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15ClN2O4/c1-25-18(22)17(21(23)24)16(11-6-8-12(19)9-7-11)14-10-20-15-5-3-2-4-13(14)15/h2-10,16-17,20H,1H3/t16-,17+/m1/s1