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

Systemtic Name: 5-cyano-2-[[7-(2-fluoranylethanoylamino)-1H-indol-2-yl]carbonylamino]benzoic acid Openeye Name: 5-cyano-2-[[7-[(2-fluoroacetyl)amino]-1H-indole-2-carbonyl]amino]benzoic acid CAS Name: 5-cyano-2-[[[7-[(2-fluoro-1-oxoethyl)amino]-1H-indol-2-yl]-oxomethyl]amino]benzoic acid IUPAC Name: 5-cyano-2-[[7-[(2-fluoroacetyl)amino]-1H-indole-2-carbonyl]amino]benzoic acid Traditional Name: 5-cyano-2-[[7-[(2-fluoroacetyl)amino]-1H-indole-2-carbonyl]amino]benzoic acid Formula: C19H13FN4O4 MolecularWeight: 380.329323

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)NC(=O)CF)NC(=C2)C(=O)NC3=C(C=C(C=C3)C#N)C(=O)O

Isomeric SMILES

C1=CC2=C(C(=C1)NC(=O)CF)NC(=C2)C(=O)NC3=C(C=C(C=C3)C#N)C(=O)O

InChI

InChI=1S/C19H13FN4O4/c20-8-16(25)22-14-3-1-2-11-7-15(23-17(11)14)18(26)24-13-5-4-10(9-21)6-12(13)19(27)28/h1-7,23H,8H2,(H,22,25)(H,24,26)(H,27,28)