(2S)-2-acetamido-3-(1H-indol-3-yl)-N-[2-[(2-nitrophenyl)amino]ethyl]propanamide

Systemtic Name: (2S)-2-acetamido-3-(1H-indol-3-yl)-N-[2-[(2-nitrophenyl)amino]ethyl]propanamide Openeye Name: (2S)-2-acetamido-3-(1H-indol-3-yl)-N-[2-(2-nitroanilino)ethyl]propanamide CAS Name: (2S)-2-acetamido-3-(1H-indol-3-yl)-N-[2-(2-nitroanilino)ethyl]propanamide IUPAC Name: (2S)-2-acetamido-3-(1H-indol-3-yl)-N-[2-(2-nitroanilino)ethyl]propanamide Traditional Name: (2S)-2-acetamido-3-(1H-indol-3-yl)-N-[2-(2-nitroanilino)ethyl]propionamide Formula: C21H23N5O4 MolecularWeight: 409.43842

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NCCNC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)NCCNC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C21H23N5O4/c1-14(27)25-19(12-15-13-24-17-7-3-2-6-16(15)17)21(28)23-11-10-22-18-8-4-5-9-20(18)26(29)30/h2-9,13,19,22,24H,10-12H2,1H3,(H,23,28)(H,25,27)/t19-/m0/s1