2-[2-[2-(4-azanyl-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]ethanoylamino]benzoic acid

Systemtic Name: 2-[2-[2-(4-azanyl-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]ethanoylamino]benzoic acid Openeye Name: 2-[[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetyl]amino]benzoic acid CAS Name: 2-[[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-benzimidazolyl]-1-oxoethyl]amino]benzoic acid IUPAC Name: 2-[[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetyl]amino]benzoic acid Traditional Name: 2-[[2-[2-(4-aminofurazan-3-yl)benzimidazol-1-yl]acetyl]amino]benzoic acid Formula: C18H14N6O4 MolecularWeight: 378.34156

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)NC(=O)CN2C3=CC=CC=C3N=C2C4=NON=C4N

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)NC(=O)CN2C3=CC=CC=C3N=C2C4=NON=C4N

InChI

InChI=1S/C18H14N6O4/c19-16-15(22-28-23-16)17-21-12-7-3-4-8-13(12)24(17)9-14(25)20-11-6-2-1-5-10(11)18(26)27/h1-8H,9H2,(H2,19,23)(H,20,25)(H,26,27)