4-acetamido-3,5-bis[bis(azanyl)methylideneamino]-2-ethoxy-benzoic acid

Systemtic Name: 4-acetamido-3,5-bis[bis(azanyl)methylideneamino]-2-ethoxy-benzoic acid Openeye Name: 4-acetamido-2-ethoxy-3,5-diguanidino-benzoic acid CAS Name: 4-acetamido-3,5-bis(diaminomethylideneamino)-2-ethoxybenzoic acid IUPAC Name: 4-acetamido-3,5-bis(diaminomethylideneamino)-2-ethoxybenzoic acid Traditional Name: 4-acetamido-2-ethoxy-3,5-diguanidino-benzoic acid Formula: C13H19N7O4 MolecularWeight: 337.33446

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=C(C=C1C(=O)O)N=C(N)N)NC(=O)C)N=C(N)N

Isomeric SMILES

CCOC1=C(C(=C(C=C1C(=O)O)N=C(N)N)NC(=O)C)N=C(N)N

InChI

InChI=1S/C13H19N7O4/c1-3-24-10-6(11(22)23)4-7(19-12(14)15)8(18-5(2)21)9(10)20-13(16)17/h4H,3H2,1-2H3,(H,18,21)(H,22,23)(H4,14,15,19)(H4,16,17,20)