4-[(5-ethoxycarbonyl-1H-imidazol-4-yl)carbonylamino]benzoic acid

Systemtic Name: 4-[(5-ethoxycarbonyl-1H-imidazol-4-yl)carbonylamino]benzoic acid Openeye Name: 4-[(5-ethoxycarbonyl-1H-imidazole-4-carbonyl)amino]benzoic acid CAS Name: 4-[[(5-ethoxycarbonyl-1H-imidazol-4-yl)-oxomethyl]amino]benzoic acid IUPAC Name: 4-[(5-ethoxycarbonyl-1H-imidazole-4-carbonyl)amino]benzoic acid Traditional Name: 4-[(5-carbethoxy-1H-imidazole-4-carbonyl)amino]benzoic acid Formula: C14H13N3O5 MolecularWeight: 303.27012

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=CN1)C(=O)NC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CCOC(=O)C1=C(N=CN1)C(=O)NC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C14H13N3O5/c1-2-22-14(21)11-10(15-7-16-11)12(18)17-9-5-3-8(4-6-9)13(19)20/h3-7H,2H2,1H3,(H,15,16)(H,17,18)(H,19,20)