methyl 3-(5-chloranylpentyl)-6-methyl-4-(4-nitrophenyl)-4H-pyrimidine-5-carboxylate

Systemtic Name: methyl 3-(5-chloranylpentyl)-6-methyl-4-(4-nitrophenyl)-4H-pyrimidine-5-carboxylate Openeye Name: methyl 3-(5-chloropentyl)-6-methyl-4-(4-nitrophenyl)-4H-pyrimidine-5-carboxylate CAS Name: 3-(5-chloropentyl)-6-methyl-4-(4-nitrophenyl)-4H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 3-(5-chloropentyl)-6-methyl-4-(4-nitrophenyl)-4H-pyrimidine-5-carboxylate Traditional Name: 3-(5-chloropentyl)-6-methyl-4-(4-nitrophenyl)-4H-pyrimidine-5-carboxylic acid methyl ester Formula: C18H22ClN3O4 MolecularWeight: 379.83798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N(C=N1)CCCCCCl)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C(C(N(C=N1)CCCCCCl)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C18H22ClN3O4/c1-13-16(18(23)26-2)17(14-6-8-15(9-7-14)22(24)25)21(12-20-13)11-5-3-4-10-19/h6-9,12,17H,3-5,10-11H2,1-2H3