1-(2,2-diethoxyethyl)-2-(3,5-dinitrophenyl)-6-oxidanylidene-pyrimidine-5-carboxylic acid

Systemtic Name: 1-(2,2-diethoxyethyl)-2-(3,5-dinitrophenyl)-6-oxidanylidene-pyrimidine-5-carboxylic acid Openeye Name: 1-(2,2-diethoxyethyl)-2-(3,5-dinitrophenyl)-6-oxo-pyrimidine-5-carboxylic acid CAS Name: 1-(2,2-diethoxyethyl)-2-(3,5-dinitrophenyl)-6-oxo-5-pyrimidinecarboxylic acid IUPAC Name: 1-(2,2-diethoxyethyl)-2-(3,5-dinitrophenyl)-6-oxopyrimidine-5-carboxylic acid Traditional Name: 1-(2,2-diethoxyethyl)-2-(3,5-dinitrophenyl)-6-keto-pyrimidine-5-carboxylic acid Formula: C17H18N4O9 MolecularWeight: 422.34622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(CN1C(=NC=C(C1=O)C(=O)O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])OCC

Isomeric SMILES

CCOC(CN1C(=NC=C(C1=O)C(=O)O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])OCC

InChI

InChI=1S/C17H18N4O9/c1-3-29-14(30-4-2)9-19-15(18-8-13(16(19)22)17(23)24)10-5-11(20(25)26)7-12(6-10)21(27)28/h5-8,14H,3-4,9H2,1-2H3,(H,23,24)