4-azanylbenzoic acid; 1-[2,5-bis(oxidanylidene)imidazolidin-4-yl]urea

Systemtic Name: 4-azanylbenzoic acid; 1-[2,5-bis(oxidanylidene)imidazolidin-4-yl]urea Openeye Name: 4-aminobenzoic acid; (2,5-dioxoimidazolidin-4-yl)urea CAS Name: 4-aminobenzoic acid; (2,5-dioxo-4-imidazolidinyl)urea IUPAC Name: 4-aminobenzoic acid; (2,5-dioxoimidazolidin-4-yl)urea Traditional Name: allantoin; 4-aminobenzoic acid Formula: C11H13N5O5 MolecularWeight: 295.25142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)N.C1(C(=O)NC(=O)N1)NC(=O)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)N.C1(C(=O)NC(=O)N1)NC(=O)N

InChI

InChI=1S/C7H7NO2.C4H6N4O3/c8-6-3-1-5(2-4-6)7(9)10;5-3(10)6-1-2(9)8-4(11)7-1/h1-4H,8H2,(H,9,10);1H,(H3,5,6,10)(H2,7,8,9,11)