2-[1,3-bis(azanyl)-1-cyano-2-oxidanylidene-propyl]benzoic acid

Systemtic Name: 2-[1,3-bis(azanyl)-1-cyano-2-oxidanylidene-propyl]benzoic acid Openeye Name: 2-(1,3-diamino-1-cyano-2-oxo-propyl)benzoic acid CAS Name: 2-(1,3-diamino-1-cyano-2-oxopropyl)benzoic acid IUPAC Name: 2-(1,3-diamino-1-cyano-2-oxopropyl)benzoic acid Traditional Name: 2-(1,3-diamino-1-cyano-2-keto-propyl)benzoic acid Formula: C11H11N3O3 MolecularWeight: 233.22334

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)C(C#N)(C(=O)CN)N

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)C(C#N)(C(=O)CN)N

InChI

InChI=1S/C11H11N3O3/c12-5-9(15)11(14,6-13)8-4-2-1-3-7(8)10(16)17/h1-4H,5,12,14H2,(H,16,17)