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

Systemtic Name: 2-[[7-(2-acetyloxyethanoylamino)-1H-indol-2-yl]carbonylamino]-5-cyano-benzoic acid Openeye Name: 2-[[7-[(2-acetoxyacetyl)amino]-1H-indole-2-carbonyl]amino]-5-cyano-benzoic acid CAS Name: 2-[[[7-[(2-acetyloxy-1-oxoethyl)amino]-1H-indol-2-yl]-oxomethyl]amino]-5-cyanobenzoic acid IUPAC Name: 2-[[7-[(2-acetyloxyacetyl)amino]-1H-indole-2-carbonyl]amino]-5-cyanobenzoic acid Traditional Name: 2-[[7-[(2-acetoxyacetyl)amino]-1H-indole-2-carbonyl]amino]-5-cyano-benzoic acid Formula: C21H16N4O6 MolecularWeight: 420.37494

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(=O)NC1=CC=CC2=C1NC(=C2)C(=O)NC3=C(C=C(C=C3)C#N)C(=O)O

Isomeric SMILES

CC(=O)OCC(=O)NC1=CC=CC2=C1NC(=C2)C(=O)NC3=C(C=C(C=C3)C#N)C(=O)O

InChI

InChI=1S/C21H16N4O6/c1-11(26)31-10-18(27)23-16-4-2-3-13-8-17(24-19(13)16)20(28)25-15-6-5-12(9-22)7-14(15)21(29)30/h2-8,24H,10H2,1H3,(H,23,27)(H,25,28)(H,29,30)