3-azanyl-5-[[bis(azanyl)methylideneamino]methyl]benzoic acid

Systemtic Name: 3-azanyl-5-[[bis(azanyl)methylideneamino]methyl]benzoic acid Openeye Name: 3-amino-5-(guanidinomethyl)benzoic acid CAS Name: 3-amino-5-[(diaminomethylideneamino)methyl]benzoic acid IUPAC Name: 3-amino-5-[(diaminomethylideneamino)methyl]benzoic acid Traditional Name: 3-amino-5-(guanidinomethyl)benzoic acid Formula: C9H12N4O2 MolecularWeight: 208.21718

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1N)C(=O)O)CN=C(N)N

Isomeric SMILES

C1=C(C=C(C=C1N)C(=O)O)CN=C(N)N

InChI

InChI=1S/C9H12N4O2/c10-7-2-5(4-13-9(11)12)1-6(3-7)8(14)15/h1-3H,4,10H2,(H,14,15)(H4,11,12,13)