(2Z)-4-ethoxy-2-[[(5-nitropyridin-2-yl)amino]methylidene]-4-oxidanylidene-butanoic acid

Systemtic Name: (2Z)-4-ethoxy-2-[[(5-nitropyridin-2-yl)amino]methylidene]-4-oxidanylidene-butanoic acid Openeye Name: (2Z)-4-ethoxy-2-[[(5-nitro-2-pyridyl)amino]methylene]-4-oxo-butanoic acid CAS Name: (2Z)-4-ethoxy-2-[[(5-nitro-2-pyridinyl)amino]methylidene]-4-oxobutanoic acid IUPAC Name: (2Z)-4-ethoxy-2-[[(5-nitropyridin-2-yl)amino]methylidene]-4-oxobutanoic acid Traditional Name: (Z)-2-(2-ethoxy-2-keto-ethyl)-3-[(5-nitro-2-pyridyl)amino]acrylic acid Formula: C12H13N3O6 MolecularWeight: 295.24812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=CNC1=NC=C(C=C1)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CCOC(=O)C/C(=C/NC1=NC=C(C=C1)[N+](=O)[O-])/C(=O)O

InChI

InChI=1S/C12H13N3O6/c1-2-21-11(16)5-8(12(17)18)6-13-10-4-3-9(7-14-10)15(19)20/h3-4,6-7H,2,5H2,1H3,(H,13,14)(H,17,18)/b8-6-