ethyl 3-(2-chloranylpyrimidin-4-yl)-5-nitro-benzoate

Systemtic Name: ethyl 3-(2-chloranylpyrimidin-4-yl)-5-nitro-benzoate Openeye Name: ethyl 3-(2-chloropyrimidin-4-yl)-5-nitro-benzoate CAS Name: 3-(2-chloro-4-pyrimidinyl)-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-(2-chloropyrimidin-4-yl)-5-nitrobenzoate Traditional Name: 3-(2-chloropyrimidin-4-yl)-5-nitro-benzoic acid ethyl ester Formula: C13H10ClN3O4 MolecularWeight: 307.6892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C2=NC(=NC=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C2=NC(=NC=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C13H10ClN3O4/c1-2-21-12(18)9-5-8(6-10(7-9)17(19)20)11-3-4-15-13(14)16-11/h3-7H,2H2,1H3