ethyl 4-chloranyl-2-(3-nitrophenyl)pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-chloranyl-2-(3-nitrophenyl)pyrimidine-5-carboxylate Openeye Name: ethyl 4-chloro-2-(3-nitrophenyl)pyrimidine-5-carboxylate CAS Name: 4-chloro-2-(3-nitrophenyl)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-chloro-2-(3-nitrophenyl)pyrimidine-5-carboxylate Traditional Name: 4-chloro-2-(3-nitrophenyl)pyrimidine-5-carboxylic acid ethyl ester Formula: C13H10ClN3O4 MolecularWeight: 307.6892

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1Cl)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1Cl)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

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