butyl (2S)-2-[(2,4-dinitrophenyl)amino]-3-(1H-indol-3-yl)propanoate

Systemtic Name: butyl (2S)-2-[(2,4-dinitrophenyl)amino]-3-(1H-indol-3-yl)propanoate Openeye Name: butyl (2S)-2-(2,4-dinitroanilino)-3-(1H-indol-3-yl)propanoate CAS Name: (2S)-2-(2,4-dinitroanilino)-3-(1H-indol-3-yl)propanoic acid butyl ester IUPAC Name: butyl (2S)-2-(2,4-dinitroanilino)-3-(1H-indol-3-yl)propanoate Traditional Name: (2S)-2-(2,4-dinitroanilino)-3-(1H-indol-3-yl)propionic acid butyl ester Formula: C21H22N4O6 MolecularWeight: 426.42258

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(CC1=CNC2=CC=CC=C21)NC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCOC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O6/c1-2-3-10-31-21(26)19(11-14-13-22-17-7-5-4-6-16(14)17)23-18-9-8-15(24(27)28)12-20(18)25(29)30/h4-9,12-13,19,22-23H,2-3,10-11H2,1H3/t19-/m0/s1