4-[bis(azanyl)methylideneamino]-2-butoxy-benzoic acid

Systemtic Name: 4-[bis(azanyl)methylideneamino]-2-butoxy-benzoic acid Openeye Name: 2-butoxy-4-guanidino-benzoic acid CAS Name: 2-butoxy-4-(diaminomethylideneamino)benzoic acid IUPAC Name: 2-butoxy-4-(diaminomethylideneamino)benzoic acid Traditional Name: 2-butoxy-4-guanidino-benzoic acid Formula: C12H17N3O3 MolecularWeight: 251.28168

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=CC(=C1)N=C(N)N)C(=O)O

Isomeric SMILES

CCCCOC1=C(C=CC(=C1)N=C(N)N)C(=O)O

InChI

InChI=1S/C12H17N3O3/c1-2-3-6-18-10-7-8(15-12(13)14)4-5-9(10)11(16)17/h4-5,7H,2-3,6H2,1H3,(H,16,17)(H4,13,14,15)