3,5-bis(carboxycarbonylamino)-4-methyl-benzoic acid

Systemtic Name: 3,5-bis(carboxycarbonylamino)-4-methyl-benzoic acid Openeye Name: 4-methyl-3,5-bis(oxaloamino)benzoic acid CAS Name: 4-methyl-3,5-bis(oxaloamino)benzoic acid IUPAC Name: 4-methyl-3,5-bis(oxaloamino)benzoic acid Traditional Name: 4-methyl-3,5-bis(oxaloamino)benzoic acid Formula: C12H10N2O8 MolecularWeight: 310.2164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1NC(=O)C(=O)O)C(=O)O)NC(=O)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1NC(=O)C(=O)O)C(=O)O)NC(=O)C(=O)O

InChI

InChI=1S/C12H10N2O8/c1-4-6(13-8(15)11(19)20)2-5(10(17)18)3-7(4)14-9(16)12(21)22/h2-3H,1H3,(H,13,15)(H,14,16)(H,17,18)(H,19,20)(H,21,22)