2-[[3-(1H-imidazol-5-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]carbamoyl]benzoic acid

Systemtic Name: 2-[[3-(1H-imidazol-5-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]carbamoyl]benzoic acid Openeye Name: 2-[[2-hydroxy-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]carbamoyl]benzoic acid CAS Name: 2-[[[1-hydroxy-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-oxomethyl]benzoic acid IUPAC Name: 2-[[1-hydroxy-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]carbamoyl]benzoic acid Traditional Name: 2-[[2-hydroxy-1-(1H-imidazol-5-ylmethyl)-2-keto-ethyl]carbamoyl]benzoic acid Formula: C14H13N3O5 MolecularWeight: 303.27012

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC(CC2=CN=CN2)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC(CC2=CN=CN2)C(=O)O)C(=O)O

InChI

InChI=1S/C14H13N3O5/c18-12(9-3-1-2-4-10(9)13(19)20)17-11(14(21)22)5-8-6-15-7-16-8/h1-4,6-7,11H,5H2,(H,15,16)(H,17,18)(H,19,20)(H,21,22)