4-[(aminomethylamino)methylcarbamoyl]benzoic acid

Systemtic Name: 4-[(aminomethylamino)methylcarbamoyl]benzoic acid Openeye Name: 4-[(aminomethylamino)methylcarbamoyl]benzoic acid CAS Name: 4-[[(aminomethylamino)methylamino]-oxomethyl]benzoic acid IUPAC Name: 4-[(aminomethylamino)methylcarbamoyl]benzoic acid Traditional Name: 4-[(aminomethylamino)methylcarbamoyl]benzoic acid Formula: C10H13N3O3 MolecularWeight: 223.22852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NCNCN)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C(=O)NCNCN)C(=O)O

InChI

InChI=1S/C10H13N3O3/c11-5-12-6-13-9(14)7-1-3-8(4-2-7)10(15)16/h1-4,12H,5-6,11H2,(H,13,14)(H,15,16)