methyl 2-[[1-(cyanomethylamino)-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethanoate

Systemtic Name: methyl 2-[[1-(cyanomethylamino)-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethanoate Openeye Name: methyl 2-[[2-(cyanomethylamino)-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]amino]-2-oxo-acetate CAS Name: 2-[[1-(cyanomethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoacetic acid methyl ester IUPAC Name: methyl 2-[[1-(cyanomethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoacetate Traditional Name: 2-[[2-(cyanomethylamino)-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]amino]-2-keto-acetic acid methyl ester Formula: C16H16N4O4 MolecularWeight: 328.32264

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NCC#N

Isomeric SMILES

COC(=O)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NCC#N

InChI

InChI=1S/C16H16N4O4/c1-24-16(23)15(22)20-13(14(21)18-7-6-17)8-10-9-19-12-5-3-2-4-11(10)12/h2-5,9,13,19H,7-8H2,1H3,(H,18,21)(H,20,22)