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

Systemtic Name: 2-azanyl-3-[(2E)-2-[(3-ethoxy-5-oxidanylidene-1,2-dihydropyrazol-4-yl)methylidene]indol-3-yl]propanoic acid Openeye Name: 2-amino-3-[(2E)-2-[(3-ethoxy-5-oxo-1,2-dihydropyrazol-4-yl)methylene]indol-3-yl]propanoic acid CAS Name: 2-amino-3-[(2E)-2-[(3-ethoxy-5-oxo-1,2-dihydropyrazol-4-yl)methylidene]-3-indolyl]propanoic acid IUPAC Name: 2-amino-3-[(2E)-2-[(3-ethoxy-5-oxo-1,2-dihydropyrazol-4-yl)methylidene]indol-3-yl]propanoic acid Traditional Name: 2-amino-3-[(2E)-2-[(3-ethoxy-5-keto-3-pyrazolin-4-yl)methylene]indol-3-yl]propionic acid Formula: C17H18N4O4 MolecularWeight: 342.34922

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=O)NN1)C=C2C(=C3C=CC=CC3=N2)CC(C(=O)O)N

Isomeric SMILES

CCOC1=C(C(=O)NN1)/C=C/2\C(=C3C=CC=CC3=N2)CC(C(=O)O)N

InChI

InChI=1S/C17H18N4O4/c1-2-25-16-11(15(22)20-21-16)8-14-10(7-12(18)17(23)24)9-5-3-4-6-13(9)19-14/h3-6,8,12H,2,7,18H2,1H3,(H,23,24)(H2,20,21,22)/b14-8+