[(2S)-2-methylbutyl] 2,3-bis(1H-indol-3-yl)-4-nitro-butanoate

Systemtic Name: [(2S)-2-methylbutyl] 2,3-bis(1H-indol-3-yl)-4-nitro-butanoate Openeye Name: [(2S)-2-methylbutyl] 2,3-bis(1H-indol-3-yl)-4-nitro-butanoate CAS Name: 2,3-bis(1H-indol-3-yl)-4-nitrobutanoic acid [(2S)-2-methylbutyl] ester IUPAC Name: [(2S)-2-methylbutyl] 2,3-bis(1H-indol-3-yl)-4-nitrobutanoate Traditional Name: 2,3-bis(1H-indol-3-yl)-4-nitro-butyric acid [(2S)-2-methylbutyl] ester Formula: C25H27N3O4 MolecularWeight: 433.49958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27N3O4/c1-3-16(2)15-32-25(29)24(20-13-27-23-11-7-5-9-18(20)23)21(14-28(30)31)19-12-26-22-10-6-4-8-17(19)22/h4-13,16,21,24,26-27H,3,14-15H2,1-2H3/t16-,21?,24?/m0/s1