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

Systemtic Name: 2-azanyl-3-[(2E)-2-[(3-oxidanylidene-5-pyrazin-2-yl-1,2-dihydropyrazol-4-yl)methylidene]indol-3-yl]propanoic acid Openeye Name: 2-amino-3-[(2E)-2-[(3-oxo-5-pyrazin-2-yl-1,2-dihydropyrazol-4-yl)methylene]indol-3-yl]propanoic acid CAS Name: 2-amino-3-[(2E)-2-[[3-oxo-5-(2-pyrazinyl)-1,2-dihydropyrazol-4-yl]methylidene]-3-indolyl]propanoic acid IUPAC Name: 2-amino-3-[(2E)-2-[(3-oxo-5-pyrazin-2-yl-1,2-dihydropyrazol-4-yl)methylidene]indol-3-yl]propanoic acid Traditional Name: 2-amino-3-[(2E)-2-[(3-keto-5-pyrazin-2-yl-3-pyrazolin-4-yl)methylene]indol-3-yl]propionic acid Formula: C19H16N6O3 MolecularWeight: 376.36874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16N6O3/c20-13(19(27)28)7-11-10-3-1-2-4-14(10)23-15(11)8-12-17(24-25-18(12)26)16-9-21-5-6-22-16/h1-6,8-9,13H,7,20H2,(H,27,28)(H2,24,25,26)/b15-8+