2-cyanoethyl 2-methoxy-6-methyl-4-(4-nitrophenyl)-1,4-dihydropyrimidine-5-carboxylate

Systemtic Name: 2-cyanoethyl 2-methoxy-6-methyl-4-(4-nitrophenyl)-1,4-dihydropyrimidine-5-carboxylate Openeye Name: 2-cyanoethyl 2-methoxy-6-methyl-4-(4-nitrophenyl)-1,4-dihydropyrimidine-5-carboxylate CAS Name: 2-methoxy-6-methyl-4-(4-nitrophenyl)-1,4-dihydropyrimidine-5-carboxylic acid 2-cyanoethyl ester IUPAC Name: 2-cyanoethyl 2-methoxy-6-methyl-4-(4-nitrophenyl)-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 2-methoxy-6-methyl-4-(4-nitrophenyl)-1,4-dihydropyrimidine-5-carboxylic acid 2-cyanoethyl ester Formula: C16H16N4O5 MolecularWeight: 344.32204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N4O5/c1-10-13(15(21)25-9-3-8-17)14(19-16(18-10)24-2)11-4-6-12(7-5-11)20(22)23/h4-7,14H,3,9H2,1-2H3,(H,18,19)