methyl 2-[[2,4,7-tris(oxidanylidene)-1,3-diazepin-5-yl]amino]benzoate

Systemtic Name: methyl 2-[[2,4,7-tris(oxidanylidene)-1,3-diazepin-5-yl]amino]benzoate Openeye Name: methyl 2-[(2,4,7-trioxo-1,3-diazepin-5-yl)amino]benzoate CAS Name: 2-[(2,4,7-trioxo-1,3-diazepin-5-yl)amino]benzoic acid methyl ester IUPAC Name: methyl 2-[(2,4,7-trioxo-1,3-diazepin-5-yl)amino]benzoate Traditional Name: 2-[(2,4,7-triketo-1,3-diazepin-5-yl)amino]benzoic acid methyl ester Formula: C13H11N3O5 MolecularWeight: 289.24354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC2=CC(=O)NC(=O)NC2=O

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC2=CC(=O)NC(=O)NC2=O

InChI

InChI=1S/C13H11N3O5/c1-21-12(19)7-4-2-3-5-8(7)14-9-6-10(17)15-13(20)16-11(9)18/h2-6H,1H3,(H3,14,15,16,17,18,20)