3-(dimethylamino)-4-(2-oxidanylidene-1-pyridin-3-yl-propyl)cyclobut-3-ene-1,2-dione

Systemtic Name: 3-(dimethylamino)-4-(2-oxidanylidene-1-pyridin-3-yl-propyl)cyclobut-3-ene-1,2-dione Openeye Name: 3-(dimethylamino)-4-[2-oxo-1-(3-pyridyl)propyl]cyclobut-3-ene-1,2-dione CAS Name: 3-(dimethylamino)-4-[2-oxo-1-(3-pyridinyl)propyl]cyclobut-3-ene-1,2-dione IUPAC Name: 3-(dimethylamino)-4-(2-oxo-1-pyridin-3-ylpropyl)cyclobut-3-ene-1,2-dione Traditional Name: 3-(dimethylamino)-4-[2-keto-1-(3-pyridyl)propyl]cyclobut-3-ene-1,2-quinone Formula: C14H14N2O3 MolecularWeight: 258.27256

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C1=CN=CC=C1)C2=C(C(=O)C2=O)N(C)C

Isomeric SMILES

CC(=O)C(C1=CN=CC=C1)C2=C(C(=O)C2=O)N(C)C

InChI

InChI=1S/C14H14N2O3/c1-8(17)10(9-5-4-6-15-7-9)11-12(16(2)3)14(19)13(11)18/h4-7,10H,1-3H3