1-(2,2-diethoxyethyl)-2-(4-nitrophenyl)-6-oxidanylidene-pyrimidine-5-carboxylic acid

Systemtic Name: 1-(2,2-diethoxyethyl)-2-(4-nitrophenyl)-6-oxidanylidene-pyrimidine-5-carboxylic acid Openeye Name: 1-(2,2-diethoxyethyl)-2-(4-nitrophenyl)-6-oxo-pyrimidine-5-carboxylic acid CAS Name: 1-(2,2-diethoxyethyl)-2-(4-nitrophenyl)-6-oxo-5-pyrimidinecarboxylic acid IUPAC Name: 1-(2,2-diethoxyethyl)-2-(4-nitrophenyl)-6-oxopyrimidine-5-carboxylic acid Traditional Name: 1-(2,2-diethoxyethyl)-6-keto-2-(4-nitrophenyl)pyrimidine-5-carboxylic acid Formula: C17H19N3O7 MolecularWeight: 377.34866

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O7/c1-3-26-14(27-4-2)10-19-15(18-9-13(16(19)21)17(22)23)11-5-7-12(8-6-11)20(24)25/h5-9,14H,3-4,10H2,1-2H3,(H,22,23)