3-(1H-imidazol-5-yl)-2-[(5-oxidanylidene-2-phenyl-1,3-oxazol-4-ylidene)methylamino]propanoic acid

Systemtic Name: 3-(1H-imidazol-5-yl)-2-[(5-oxidanylidene-2-phenyl-1,3-oxazol-4-ylidene)methylamino]propanoic acid Openeye Name: 3-(1H-imidazol-5-yl)-2-[(5-oxo-2-phenyl-oxazol-4-ylidene)methylamino]propanoic acid CAS Name: 3-(1H-imidazol-5-yl)-2-[(5-oxo-2-phenyl-4-oxazolylidene)methylamino]propanoic acid IUPAC Name: 3-(1H-imidazol-5-yl)-2-[(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)methylamino]propanoic acid Traditional Name: 3-(1H-imidazol-5-yl)-2-[(5-keto-2-phenyl-2-oxazolin-4-ylidene)methylamino]propionic acid Formula: C16H14N4O4 MolecularWeight: 326.30676

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=CNC(CC3=CN=CN3)C(=O)O)C(=O)O2

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=CNC(CC3=CN=CN3)C(=O)O)C(=O)O2

InChI

InChI=1S/C16H14N4O4/c21-15(22)12(6-11-7-17-9-19-11)18-8-13-16(23)24-14(20-13)10-4-2-1-3-5-10/h1-5,7-9,12,18H,6H2,(H,17,19)(H,21,22)