[(E)-[azanyl-(4-azanyl-1,2,5-oxadiazol-3-yl)methylidene]amino] 3-phenylpropanoate

Systemtic Name: [(E)-[azanyl-(4-azanyl-1,2,5-oxadiazol-3-yl)methylidene]amino] 3-phenylpropanoate Openeye Name: [(E)-[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylene]amino] 3-phenylpropanoate CAS Name: 3-phenylpropanoic acid [(E)-[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]amino] ester IUPAC Name: [(E)-[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]amino] 3-phenylpropanoate Traditional Name: 3-phenylpropionic acid [(E)-[amino-(4-aminofurazan-3-yl)methylene]amino] ester Formula: C12H13N5O3 MolecularWeight: 275.26332

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)ON=C(C2=NON=C2N)N

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)O/N=C(\C2=NON=C2N)/N

InChI

InChI=1S/C12H13N5O3/c13-11(10-12(14)17-20-15-10)16-19-9(18)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,13,16)(H2,14,17)