3-[2-[bis(azanyl)methylideneamino]-4-chloranyl-phenyl]prop-2-ynoic acid

Systemtic Name: 3-[2-[bis(azanyl)methylideneamino]-4-chloranyl-phenyl]prop-2-ynoic acid Openeye Name: 3-(4-chloro-2-guanidino-phenyl)prop-2-ynoic acid CAS Name: 3-[4-chloro-2-(diaminomethylideneamino)phenyl]-2-propynoic acid IUPAC Name: 3-[4-chloro-2-(diaminomethylideneamino)phenyl]prop-2-ynoic acid Traditional Name: 3-(4-chloro-2-guanidino-phenyl)propiolic acid Formula: C10H8ClN3O2 MolecularWeight: 237.64242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)N=C(N)N)C#CC(=O)O

Isomeric SMILES

C1=CC(=C(C=C1Cl)N=C(N)N)C#CC(=O)O

InChI

InChI=1S/C10H8ClN3O2/c11-7-3-1-6(2-4-9(15)16)8(5-7)14-10(12)13/h1,3,5H,(H,15,16)(H4,12,13,14)