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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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