3-acetamido-4-acetyloxy-5-[bis(azanyl)methylideneamino]benzoic acid

Systemtic Name: 3-acetamido-4-acetyloxy-5-[bis(azanyl)methylideneamino]benzoic acid Openeye Name: 3-acetamido-4-acetoxy-5-guanidino-benzoic acid CAS Name: 3-acetamido-4-acetyloxy-5-(diaminomethylideneamino)benzoic acid IUPAC Name: 3-acetamido-4-acetyloxy-5-(diaminomethylideneamino)benzoic acid Traditional Name: 3-acetamido-4-acetoxy-5-guanidino-benzoic acid Formula: C12H14N4O5 MolecularWeight: 294.26336

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC(=C1OC(=O)C)N=C(N)N)C(=O)O

Isomeric SMILES

CC(=O)NC1=CC(=CC(=C1OC(=O)C)N=C(N)N)C(=O)O

InChI

InChI=1S/C12H14N4O5/c1-5(17)15-8-3-7(11(19)20)4-9(16-12(13)14)10(8)21-6(2)18/h3-4H,1-2H3,(H,15,17)(H,19,20)(H4,13,14,16)