ethyl 4-[3-[but-2-enoyl-(pyridin-3-ylcarbonylamino)amino]-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate

Systemtic Name: ethyl 4-[3-[but-2-enoyl-(pyridin-3-ylcarbonylamino)amino]-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate Openeye Name: ethyl 4-[3-[but-2-enoyl-(pyridine-3-carbonylamino)amino]-2,5-dioxo-pyrrolidin-1-yl]benzoate CAS Name: 4-[2,5-dioxo-3-[1-oxobut-2-enyl-[[oxo(3-pyridinyl)methyl]amino]amino]-1-pyrrolidinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-[but-2-enoyl-(pyridine-3-carbonylamino)amino]-2,5-dioxopyrrolidin-1-yl]benzoate Traditional Name: 4-[3-[but-2-enoyl(nicotinamido)amino]-2,5-diketo-pyrrolidino]benzoic acid ethyl ester Formula: C23H22N4O6 MolecularWeight: 450.44398

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(=O)CC(C2=O)N(C(=O)C=CC)NC(=O)C3=CN=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=O)CC(C2=O)N(C(=O)C=CC)NC(=O)C3=CN=CC=C3

InChI

InChI=1S/C23H22N4O6/c1-3-6-19(28)27(25-21(30)16-7-5-12-24-14-16)18-13-20(29)26(22(18)31)17-10-8-15(9-11-17)23(32)33-4-2/h3,5-12,14,18H,4,13H2,1-2H3,(H,25,30)