3-[[(cyanoamino)-[(4-cyanophenyl)amino]methylidene]amino]propanoic acid

Systemtic Name: 3-[[(cyanoamino)-[(4-cyanophenyl)amino]methylidene]amino]propanoic acid Openeye Name: 3-[[(cyanoamino)-(4-cyanoanilino)methylene]amino]propanoic acid CAS Name: 3-[[(cyanoamino)-(4-cyanoanilino)methylidene]amino]propanoic acid IUPAC Name: 3-[[(cyanoamino)-(4-cyanoanilino)methylidene]amino]propanoic acid Traditional Name: 3-[[(cyanoamino)-(4-cyanoanilino)methylene]amino]propionic acid Formula: C12H11N5O2 MolecularWeight: 257.24804

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)NC(=NCCC(=O)O)NC#N

Isomeric SMILES

C1=CC(=CC=C1C#N)NC(=NCCC(=O)O)NC#N

InChI

InChI=1S/C12H11N5O2/c13-7-9-1-3-10(4-2-9)17-12(16-8-14)15-6-5-11(18)19/h1-4H,5-6H2,(H,18,19)(H2,15,16,17)