5-[bis(azanyl)methylideneamino]-2-pentoxy-benzoate

Systemtic Name: 5-[bis(azanyl)methylideneamino]-2-pentoxy-benzoate Openeye Name: 5-guanidino-2-pentoxy-benzoate CAS Name: 5-(diaminomethylideneamino)-2-pentoxybenzoate IUPAC Name: 5-(diaminomethylideneamino)-2-pentoxybenzoate Traditional Name: 2-amoxy-5-guanidino-benzoate Formula: C13H18N3O3- MolecularWeight: 264.30032

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1)N=C(N)N)C(=O)[O-]

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1)N=C(N)N)C(=O)[O-]

InChI

InChI=1S/C13H19N3O3/c1-2-3-4-7-19-11-6-5-9(16-13(14)15)8-10(11)12(17)18/h5-6,8H,2-4,7H2,1H3,(H,17,18)(H4,14,15,16)/p-1