2-[4-[bis(azanyl)methylideneamino]phenyl]hex-5-ynoic acid

Systemtic Name: 2-[4-[bis(azanyl)methylideneamino]phenyl]hex-5-ynoic acid Openeye Name: 2-(4-guanidinophenyl)hex-5-ynoic acid CAS Name: 2-[4-(diaminomethylideneamino)phenyl]-5-hexynoic acid IUPAC Name: 2-[4-(diaminomethylideneamino)phenyl]hex-5-ynoic acid Traditional Name: 2-(4-guanidinophenyl)hex-5-ynoic acid Formula: C13H15N3O2 MolecularWeight: 245.2771

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N3O2/c1-2-3-4-11(12(17)18)9-5-7-10(8-6-9)16-13(14)15/h1,5-8,11H,3-4H2,(H,17,18)(H4,14,15,16)