(2S)-1-[(2S)-2-azanyl-3-[5-(5-nitropyridin-2-yl)oxy-1H-indol-3-yl]propanoyl]pyrrolidine-2-carbonitrile

Systemtic Name: (2S)-1-[(2S)-2-azanyl-3-[5-(5-nitropyridin-2-yl)oxy-1H-indol-3-yl]propanoyl]pyrrolidine-2-carbonitrile Openeye Name: (2S)-1-[(2S)-2-amino-3-[5-[(5-nitro-2-pyridyl)oxy]-1H-indol-3-yl]propanoyl]pyrrolidine-2-carbonitrile CAS Name: (2S)-1-[(2S)-2-amino-3-[5-[(5-nitro-2-pyridinyl)oxy]-1H-indol-3-yl]-1-oxopropyl]-2-pyrrolidinecarbonitrile IUPAC Name: (2S)-1-[(2S)-2-amino-3-[5-(5-nitropyridin-2-yl)oxy-1H-indol-3-yl]propanoyl]pyrrolidine-2-carbonitrile Traditional Name: (2S)-1-[(2S)-2-amino-3-[5-[(5-nitro-2-pyridyl)oxy]-1H-indol-3-yl]propanoyl]pyrrolidine-2-carbonitrile Formula: C21H20N6O4 MolecularWeight: 420.4213

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CC2=CNC3=C2C=C(C=C3)OC4=NC=C(C=C4)[N+](=O)[O-])N)C#N

Isomeric SMILES

C1C[C@H](N(C1)C(=O)[C@H](CC2=CNC3=C2C=C(C=C3)OC4=NC=C(C=C4)[N+](=O)[O-])N)C#N

InChI

InChI=1S/C21H20N6O4/c22-10-14-2-1-7-26(14)21(28)18(23)8-13-11-24-19-5-4-16(9-17(13)19)31-20-6-3-15(12-25-20)27(29)30/h3-6,9,11-12,14,18,24H,1-2,7-8,23H2/t14-,18-/m0/s1