5-cyano-2-[[7-[(3-cyanophenyl)carbonylamino]-1H-indol-2-yl]carbonylamino]benzoic acid

Systemtic Name: 5-cyano-2-[[7-[(3-cyanophenyl)carbonylamino]-1H-indol-2-yl]carbonylamino]benzoic acid Openeye Name: 5-cyano-2-[[7-[(3-cyanobenzoyl)amino]-1H-indole-2-carbonyl]amino]benzoic acid CAS Name: 5-cyano-2-[[[7-[[(3-cyanophenyl)-oxomethyl]amino]-1H-indol-2-yl]-oxomethyl]amino]benzoic acid IUPAC Name: 5-cyano-2-[[7-[(3-cyanobenzoyl)amino]-1H-indole-2-carbonyl]amino]benzoic acid Traditional Name: 5-cyano-2-[[7-[(3-cyanobenzoyl)amino]-1H-indole-2-carbonyl]amino]benzoic acid Formula: C25H15N5O4 MolecularWeight: 449.4177

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)NC2=CC=CC3=C2NC(=C3)C(=O)NC4=C(C=C(C=C4)C#N)C(=O)O)C#N

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)NC2=CC=CC3=C2NC(=C3)C(=O)NC4=C(C=C(C=C4)C#N)C(=O)O)C#N

InChI

InChI=1S/C25H15N5O4/c26-12-14-3-1-5-17(9-14)23(31)30-20-6-2-4-16-11-21(28-22(16)20)24(32)29-19-8-7-15(13-27)10-18(19)25(33)34/h1-11,28H,(H,29,32)(H,30,31)(H,33,34)