O5-(2-isocyanoethyl) O3-(4-nitrophenyl) 6-ethyl-2-methoxy-4-(4-nitrophenyl)-4H-pyrimidine-3,5-dicarboxylate

Systemtic Name: O5-(2-isocyanoethyl) O3-(4-nitrophenyl) 6-ethyl-2-methoxy-4-(4-nitrophenyl)-4H-pyrimidine-3,5-dicarboxylate Openeye Name: O5-(2-isocyanoethyl) O3-(4-nitrophenyl) 6-ethyl-2-methoxy-4-(4-nitrophenyl)-4H-pyrimidine-3,5-dicarboxylate CAS Name: 6-ethyl-2-methoxy-4-(4-nitrophenyl)-4H-pyrimidine-3,5-dicarboxylic acid O5-(2-isocyanoethyl) ester O3-(4-nitrophenyl) ester IUPAC Name: 5-O-(2-isocyanoethyl) 3-O-(4-nitrophenyl) 6-ethyl-2-methoxy-4-(4-nitrophenyl)-4H-pyrimidine-3,5-dicarboxylate Traditional Name: 6-ethyl-2-methoxy-4-(4-nitrophenyl)-4H-pyrimidine-3,5-dicarboxylic acid O5-(2-isocyanoethyl) ester O3-(4-nitrophenyl) ester Formula: C24H21N5O9 MolecularWeight: 523.45164

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(N(C(=N1)OC)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)[N+](=O)[O-])C(=O)OCC[N+]#[C-]

Isomeric SMILES

CCC1=C(C(N(C(=N1)OC)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)[N+](=O)[O-])C(=O)OCC[N+]#[C-]

InChI

InChI=1S/C24H21N5O9/c1-4-19-20(22(30)37-14-13-25-2)21(15-5-7-16(8-6-15)28(32)33)27(23(26-19)36-3)24(31)38-18-11-9-17(10-12-18)29(34)35/h5-12,21H,4,13-14H2,1,3H3