ethyl (2R,3R)-3-(1H-indol-3-yl)-4-methyl-2-nitro-pentanoate

Systemtic Name: ethyl (2R,3R)-3-(1H-indol-3-yl)-4-methyl-2-nitro-pentanoate Openeye Name: ethyl (2R,3R)-3-(1H-indol-3-yl)-4-methyl-2-nitro-pentanoate CAS Name: (2R,3R)-3-(1H-indol-3-yl)-4-methyl-2-nitropentanoic acid ethyl ester IUPAC Name: ethyl (2R,3R)-3-(1H-indol-3-yl)-4-methyl-2-nitropentanoate Traditional Name: (2R,3R)-3-(1H-indol-3-yl)-4-methyl-2-nitro-valeric acid ethyl ester Formula: C16H20N2O4 MolecularWeight: 304.341

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C1=CNC2=CC=CC=C21)C(C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)[C@@H]([C@@H](C1=CNC2=CC=CC=C21)C(C)C)[N+](=O)[O-]

InChI

InChI=1S/C16H20N2O4/c1-4-22-16(19)15(18(20)21)14(10(2)3)12-9-17-13-8-6-5-7-11(12)13/h5-10,14-15,17H,4H2,1-3H3/t14-,15-/m1/s1