ethyl (E)-4-[(5-bromanylpyridin-3-yl)carbonylamino]-5-(2-oxidanylidenepyrrolidin-3-yl)pent-2-enoate

Systemtic Name: ethyl (E)-4-[(5-bromanylpyridin-3-yl)carbonylamino]-5-(2-oxidanylidenepyrrolidin-3-yl)pent-2-enoate Openeye Name: ethyl (E)-4-[(5-bromopyridine-3-carbonyl)amino]-5-(2-oxopyrrolidin-3-yl)pent-2-enoate CAS Name: (E)-4-[[(5-bromo-3-pyridinyl)-oxomethyl]amino]-5-(2-oxo-3-pyrrolidinyl)-2-pentenoic acid ethyl ester IUPAC Name: ethyl (E)-4-[(5-bromopyridine-3-carbonyl)amino]-5-(2-oxopyrrolidin-3-yl)pent-2-enoate Traditional Name: (E)-4-[(5-bromonicotinoyl)amino]-5-(2-ketopyrrolidin-3-yl)pent-2-enoic acid ethyl ester Formula: C17H20BrN3O4 MolecularWeight: 410.2624

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(CC1CCNC1=O)NC(=O)C2=CC(=CN=C2)Br

Isomeric SMILES

CCOC(=O)/C=C/C(CC1CCNC1=O)NC(=O)C2=CC(=CN=C2)Br

InChI

InChI=1S/C17H20BrN3O4/c1-2-25-15(22)4-3-14(8-11-5-6-20-16(11)23)21-17(24)12-7-13(18)10-19-9-12/h3-4,7,9-11,14H,2,5-6,8H2,1H3,(H,20,23)(H,21,24)/b4-3+