2-azanyl-3-[(2E)-2-[(3-oxidanylidene-5-pyridin-3-yl-1,2-dihydropyrazol-4-yl)methylidene]indol-3-yl]propanoic acid

Systemtic Name: 2-azanyl-3-[(2E)-2-[(3-oxidanylidene-5-pyridin-3-yl-1,2-dihydropyrazol-4-yl)methylidene]indol-3-yl]propanoic acid Openeye Name: 2-amino-3-[(2E)-2-[[3-oxo-5-(3-pyridyl)-1,2-dihydropyrazol-4-yl]methylene]indol-3-yl]propanoic acid CAS Name: 2-amino-3-[(2E)-2-[[3-oxo-5-(3-pyridinyl)-1,2-dihydropyrazol-4-yl]methylidene]-3-indolyl]propanoic acid IUPAC Name: 2-amino-3-[(2E)-2-[(3-oxo-5-pyridin-3-yl-1,2-dihydropyrazol-4-yl)methylidene]indol-3-yl]propanoic acid Traditional Name: 2-amino-3-[(2E)-2-[[3-keto-5-(3-pyridyl)-3-pyrazolin-4-yl]methylene]indol-3-yl]propionic acid Formula: C20H17N5O3 MolecularWeight: 375.38068

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=CC3=C(NNC3=O)C4=CN=CC=C4)N=C2C=C1)CC(C(=O)O)N

Isomeric SMILES

C1=CC2=C(/C(=C\C3=C(NNC3=O)C4=CN=CC=C4)/N=C2C=C1)CC(C(=O)O)N

InChI

InChI=1S/C20H17N5O3/c21-15(20(27)28)8-13-12-5-1-2-6-16(12)23-17(13)9-14-18(24-25-19(14)26)11-4-3-7-22-10-11/h1-7,9-10,15H,8,21H2,(H,27,28)(H2,24,25,26)/b17-9+