4-[(Z)-2-(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)-3-ethoxy-3-oxidanylidene-prop-1-enyl]-2-nitro-phenolate

Systemtic Name: 4-[(Z)-2-(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)-3-ethoxy-3-oxidanylidene-prop-1-enyl]-2-nitro-phenolate Openeye Name: 4-[(Z)-2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)-3-ethoxy-3-oxo-prop-1-enyl]-2-nitro-phenolate CAS Name: 4-[(Z)-2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)-3-ethoxy-3-oxoprop-1-enyl]-2-nitrophenolate IUPAC Name: 4-[(Z)-2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)-3-ethoxy-3-oxoprop-1-enyl]-2-nitrophenolate Traditional Name: 4-[(Z)-3-ethoxy-3-keto-2-(4-keto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-2-yl)prop-1-enyl]-2-nitro-phenolate Formula: C19H16N3O6S- MolecularWeight: 414.41184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=CC(=C(C=C1)[O-])[N+](=O)[O-])C2=NC3=C(C(=C(S3)C)C)C(=O)N2

Isomeric SMILES

CCOC(=O)/C(=C\C1=CC(=C(C=C1)[O-])[N+](=O)[O-])/C2=NC3=C(C(=C(S3)C)C)C(=O)N2

InChI

InChI=1S/C19H17N3O6S/c1-4-28-19(25)12(7-11-5-6-14(23)13(8-11)22(26)27)16-20-17(24)15-9(2)10(3)29-18(15)21-16/h5-8,23H,4H2,1-3H3,(H,20,21,24)/p-1/b12-7-