4-[[2-azanyl-4-(carboxymethylamino)-6-methyl-pyrimidin-5-yl]diazenyl]benzoic acid

Systemtic Name: 4-[[2-azanyl-4-(carboxymethylamino)-6-methyl-pyrimidin-5-yl]diazenyl]benzoic acid Openeye Name: 4-[2-amino-4-(carboxymethylamino)-6-methyl-pyrimidin-5-yl]azobenzoic acid CAS Name: 4-[[2-amino-4-(carboxymethylamino)-6-methyl-5-pyrimidinyl]azo]benzoic acid IUPAC Name: 4-[[2-amino-4-(carboxymethylamino)-6-methylpyrimidin-5-yl]diazenyl]benzoic acid Traditional Name: 4-[2-amino-4-(carboxymethylamino)-6-methyl-pyrimidin-5-yl]azobenzoic acid Formula: C14H14N6O4 MolecularWeight: 330.29876

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)N)NCC(=O)O)N=NC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC1=C(C(=NC(=N1)N)NCC(=O)O)N=NC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C14H14N6O4/c1-7-11(12(16-6-10(21)22)18-14(15)17-7)20-19-9-4-2-8(3-5-9)13(23)24/h2-5H,6H2,1H3,(H,21,22)(H,23,24)(H3,15,16,17,18)