3-(1H-indol-3-yl)-2-[[3-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-5-yl]amino]propanoic acid

Systemtic Name: 3-(1H-indol-3-yl)-2-[[3-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-5-yl]amino]propanoic acid Openeye Name: 3-(1H-indol-3-yl)-2-[[3-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-5-yl]amino]propanoic acid CAS Name: 3-(1H-indol-3-yl)-2-[[3-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-5-yl]amino]propanoic acid IUPAC Name: 3-(1H-indol-3-yl)-2-[[3-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-5-yl]amino]propanoic acid Traditional Name: 3-(1H-indol-3-yl)-2-[[5-(3-nitrophenyl)-2-pyrazolin-3-yl]amino]propionic acid Formula: C20H19N5O4 MolecularWeight: 393.39596

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Descriptors Computed from Structure

Canonical SMILES:

C1C(NN=C1C2=CC(=CC=C2)[N+](=O)[O-])NC(CC3=CNC4=CC=CC=C43)C(=O)O

Isomeric SMILES

C1C(NN=C1C2=CC(=CC=C2)[N+](=O)[O-])NC(CC3=CNC4=CC=CC=C43)C(=O)O

InChI

InChI=1S/C20H19N5O4/c26-20(27)18(9-13-11-21-16-7-2-1-6-15(13)16)22-19-10-17(23-24-19)12-4-3-5-14(8-12)25(28)29/h1-8,11,18-19,21-22,24H,9-10H2,(H,26,27)