ethyl (E)-3-azanyl-2-[3,5-bis(oxidanylidene)-4-phenyl-1,2,4-triazolidin-1-yl]but-2-enoate

Systemtic Name: ethyl (E)-3-azanyl-2-[3,5-bis(oxidanylidene)-4-phenyl-1,2,4-triazolidin-1-yl]but-2-enoate Openeye Name: ethyl (E)-3-amino-2-(3,5-dioxo-4-phenyl-1,2,4-triazolidin-1-yl)but-2-enoate CAS Name: (E)-3-amino-2-(3,5-dioxo-4-phenyl-1,2,4-triazolidin-1-yl)-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-3-amino-2-(3,5-dioxo-4-phenyl-1,2,4-triazolidin-1-yl)but-2-enoate Traditional Name: (E)-3-amino-2-(3,5-diketo-4-phenyl-1,2,4-triazolidin-1-yl)but-2-enoic acid ethyl ester Formula: C14H16N4O4 MolecularWeight: 304.30124

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(C)N)N1C(=O)N(C(=O)N1)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)/C(=C(/C)\N)/N1C(=O)N(C(=O)N1)C2=CC=CC=C2

InChI

InChI=1S/C14H16N4O4/c1-3-22-12(19)11(9(2)15)18-14(21)17(13(20)16-18)10-7-5-4-6-8-10/h4-8H,3,15H2,1-2H3,(H,16,20)/b11-9+