3-[bis(azanyl)methylideneamino]-4-(methylcarbamoyl)benzoic acid

Systemtic Name: 3-[bis(azanyl)methylideneamino]-4-(methylcarbamoyl)benzoic acid Openeye Name: 3-guanidino-4-(methylcarbamoyl)benzoic acid CAS Name: 3-(diaminomethylideneamino)-4-(methylcarbamoyl)benzoic acid IUPAC Name: 3-(diaminomethylideneamino)-4-(methylcarbamoyl)benzoic acid Traditional Name: 3-guanidino-4-(methylcarbamoyl)benzoic acid Formula: C10H12N4O3 MolecularWeight: 236.22728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=C(C=C(C=C1)C(=O)O)N=C(N)N

Isomeric SMILES

CNC(=O)C1=C(C=C(C=C1)C(=O)O)N=C(N)N

InChI

InChI=1S/C10H12N4O3/c1-13-8(15)6-3-2-5(9(16)17)4-7(6)14-10(11)12/h2-4H,1H3,(H,13,15)(H,16,17)(H4,11,12,14)