2-cyanoethyl 6-ethyl-2-methoxy-3-nitrocarbonyl-4-(4-nitrophenyl)-4H-pyrimidine-5-carboxylate

Systemtic Name: 2-cyanoethyl 6-ethyl-2-methoxy-3-nitrocarbonyl-4-(4-nitrophenyl)-4H-pyrimidine-5-carboxylate Openeye Name: 2-cyanoethyl 6-ethyl-2-methoxy-3-nitrocarbonyl-4-(4-nitrophenyl)-4H-pyrimidine-5-carboxylate CAS Name: 6-ethyl-2-methoxy-3-[nitro(oxo)methyl]-4-(4-nitrophenyl)-4H-pyrimidine-5-carboxylic acid 2-cyanoethyl ester IUPAC Name: 2-cyanoethyl 6-ethyl-2-methoxy-3-nitrocarbonyl-4-(4-nitrophenyl)-4H-pyrimidine-5-carboxylate Traditional Name: 6-ethyl-2-methoxy-3-nitrocarbonyl-4-(4-nitrophenyl)-4H-pyrimidine-5-carboxylic acid 2-cyanoethyl ester Formula: C18H17N5O8 MolecularWeight: 431.35628

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(N(C(=N1)OC)C(=O)[N+](=O)[O-])C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCCC#N

Isomeric SMILES

CCC1=C(C(N(C(=N1)OC)C(=O)[N+](=O)[O-])C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCCC#N

InChI

InChI=1S/C18H17N5O8/c1-3-13-14(16(24)31-10-4-9-19)15(11-5-7-12(8-6-11)22(26)27)21(17(20-13)30-2)18(25)23(28)29/h5-8,15H,3-4,10H2,1-2H3