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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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