ethyl (2S,3R)-3-(5-bromanyl-1H-indol-3-yl)-3-(4-chlorophenyl)-2-nitro-propanoate

Systemtic Name: ethyl (2S,3R)-3-(5-bromanyl-1H-indol-3-yl)-3-(4-chlorophenyl)-2-nitro-propanoate Openeye Name: ethyl (2S,3R)-3-(5-bromo-1H-indol-3-yl)-3-(4-chlorophenyl)-2-nitro-propanoate CAS Name: (2S,3R)-3-(5-bromo-1H-indol-3-yl)-3-(4-chlorophenyl)-2-nitropropanoic acid ethyl ester IUPAC Name: ethyl (2S,3R)-3-(5-bromo-1H-indol-3-yl)-3-(4-chlorophenyl)-2-nitropropanoate Traditional Name: (2S,3R)-3-(5-bromo-1H-indol-3-yl)-3-(4-chlorophenyl)-2-nitro-propionic acid ethyl ester Formula: C19H16BrClN2O4 MolecularWeight: 451.69834

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C1=CC=C(C=C1)Cl)C2=CNC3=C2C=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)[C@H]([C@H](C1=CC=C(C=C1)Cl)C2=CNC3=C2C=C(C=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C19H16BrClN2O4/c1-2-27-19(24)18(23(25)26)17(11-3-6-13(21)7-4-11)15-10-22-16-8-5-12(20)9-14(15)16/h3-10,17-18,22H,2H2,1H3/t17-,18+/m1/s1