methyl (2R,3S)-2,3-bis(1H-indol-3-yl)-4-nitro-butanoate

Systemtic Name: methyl (2R,3S)-2,3-bis(1H-indol-3-yl)-4-nitro-butanoate Openeye Name: methyl (2R,3S)-2,3-bis(1H-indol-3-yl)-4-nitro-butanoate CAS Name: (2R,3S)-2,3-bis(1H-indol-3-yl)-4-nitrobutanoic acid methyl ester IUPAC Name: methyl (2R,3S)-2,3-bis(1H-indol-3-yl)-4-nitrobutanoate Traditional Name: (2R,3S)-2,3-bis(1H-indol-3-yl)-4-nitro-butyric acid methyl ester Formula: C21H19N3O4 MolecularWeight: 377.39326

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CNC2=CC=CC=C21)C(C[N+](=O)[O-])C3=CNC4=CC=CC=C43

Isomeric SMILES

COC(=O)[C@@H](C1=CNC2=CC=CC=C21)[C@H](C[N+](=O)[O-])C3=CNC4=CC=CC=C43

InChI

InChI=1S/C21H19N3O4/c1-28-21(25)20(16-11-23-19-9-5-3-7-14(16)19)17(12-24(26)27)15-10-22-18-8-4-2-6-13(15)18/h2-11,17,20,22-23H,12H2,1H3/t17-,20+/m1/s1