methyl 4-(6-chloranylpyrimidin-4-yl)-3-nitro-benzoate

Systemtic Name: methyl 4-(6-chloranylpyrimidin-4-yl)-3-nitro-benzoate Openeye Name: methyl 4-(6-chloropyrimidin-4-yl)-3-nitro-benzoate CAS Name: 4-(6-chloro-4-pyrimidinyl)-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-(6-chloropyrimidin-4-yl)-3-nitrobenzoate Traditional Name: 4-(6-chloropyrimidin-4-yl)-3-nitro-benzoic acid methyl ester Formula: C12H8ClN3O4 MolecularWeight: 293.66262

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)C2=CC(=NC=N2)Cl)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)C2=CC(=NC=N2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C12H8ClN3O4/c1-20-12(17)7-2-3-8(10(4-7)16(18)19)9-5-11(13)15-6-14-9/h2-6H,1H3