3-[bis(azanyl)methylideneamino]-4-chloranyl-benzoic acid

Systemtic Name: 3-[bis(azanyl)methylideneamino]-4-chloranyl-benzoic acid Openeye Name: 4-chloro-3-guanidino-benzoic acid CAS Name: 4-chloro-3-(diaminomethylideneamino)benzoic acid IUPAC Name: 4-chloro-3-(diaminomethylideneamino)benzoic acid Traditional Name: 4-chloro-3-guanidino-benzoic acid Formula: C8H8ClN3O2 MolecularWeight: 213.62102

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)O)N=C(N)N)Cl

Isomeric SMILES

C1=CC(=C(C=C1C(=O)O)N=C(N)N)Cl

InChI

InChI=1S/C8H8ClN3O2/c9-5-2-1-4(7(13)14)3-6(5)12-8(10)11/h1-3H,(H,13,14)(H4,10,11,12)