5-cyano-2-[[7-(1,2-oxazol-5-ylcarbonylamino)-1H-indol-2-yl]carbonylamino]benzoic acid

Systemtic Name: 5-cyano-2-[[7-(1,2-oxazol-5-ylcarbonylamino)-1H-indol-2-yl]carbonylamino]benzoic acid Openeye Name: 5-cyano-2-[[7-(isoxazole-5-carbonylamino)-1H-indole-2-carbonyl]amino]benzoic acid CAS Name: 5-cyano-2-[[[7-[[5-isoxazolyl(oxo)methyl]amino]-1H-indol-2-yl]-oxomethyl]amino]benzoic acid IUPAC Name: 5-cyano-2-[[7-(1,2-oxazole-5-carbonylamino)-1H-indole-2-carbonyl]amino]benzoic acid Traditional Name: 5-cyano-2-[[7-(isoxazole-5-carbonylamino)-1H-indole-2-carbonyl]amino]benzoic acid Formula: C21H13N5O5 MolecularWeight: 415.35842

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)NC(=O)C3=CC=NO3)NC(=C2)C(=O)NC4=C(C=C(C=C4)C#N)C(=O)O

Isomeric SMILES

C1=CC2=C(C(=C1)NC(=O)C3=CC=NO3)NC(=C2)C(=O)NC4=C(C=C(C=C4)C#N)C(=O)O

InChI

InChI=1S/C21H13N5O5/c22-10-11-4-5-14(13(8-11)21(29)30)25-19(27)16-9-12-2-1-3-15(18(12)24-16)26-20(28)17-6-7-23-31-17/h1-9,24H,(H,25,27)(H,26,28)(H,29,30)