O5-(2-cyanoethyl) O1-methyl 2-methoxy-4-methyl-6-(4-nitrophenyl)-2H-pyrimidine-1,5-dicarboxylate

Systemtic Name: O5-(2-cyanoethyl) O1-methyl 2-methoxy-4-methyl-6-(4-nitrophenyl)-2H-pyrimidine-1,5-dicarboxylate Openeye Name: O5-(2-cyanoethyl) O1-methyl 2-methoxy-4-methyl-6-(4-nitrophenyl)-2H-pyrimidine-1,5-dicarboxylate CAS Name: 2-methoxy-4-methyl-6-(4-nitrophenyl)-2H-pyrimidine-1,5-dicarboxylic acid O5-(2-cyanoethyl) ester O1-methyl ester IUPAC Name: 5-O-(2-cyanoethyl) 1-O-methyl 2-methoxy-4-methyl-6-(4-nitrophenyl)-2H-pyrimidine-1,5-dicarboxylate Traditional Name: 2-methoxy-4-methyl-6-(4-nitrophenyl)-2H-pyrimidine-1,5-dicarboxylic acid O5-(2-cyanoethyl) ester O1-methyl ester Formula: C18H18N4O7 MolecularWeight: 402.35812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(N(C(=C1C(=O)OCCC#N)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC)OC

Isomeric SMILES

CC1=NC(N(C(=C1C(=O)OCCC#N)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC)OC

InChI

InChI=1S/C18H18N4O7/c1-11-14(16(23)29-10-4-9-19)15(12-5-7-13(8-6-12)22(25)26)21(18(24)28-3)17(20-11)27-2/h5-8,17H,4,10H2,1-3H3