O5-(2-isocyanoethyl) O3-(4-nitrophenyl) 4-(2,1,3-benzoxadiazol-5-yl)-6-ethyl-2-methoxy-4H-pyrimidine-3,5-dicarboxylate

Systemtic Name: O5-(2-isocyanoethyl) O3-(4-nitrophenyl) 4-(2,1,3-benzoxadiazol-5-yl)-6-ethyl-2-methoxy-4H-pyrimidine-3,5-dicarboxylate Openeye Name: O5-(2-isocyanoethyl) O3-(4-nitrophenyl) 4-(2,1,3-benzoxadiazol-5-yl)-6-ethyl-2-methoxy-4H-pyrimidine-3,5-dicarboxylate CAS Name: 4-(2,1,3-benzoxadiazol-5-yl)-6-ethyl-2-methoxy-4H-pyrimidine-3,5-dicarboxylic acid O5-(2-isocyanoethyl) ester O3-(4-nitrophenyl) ester IUPAC Name: 5-O-(2-isocyanoethyl) 3-O-(4-nitrophenyl) 4-(2,1,3-benzoxadiazol-5-yl)-6-ethyl-2-methoxy-4H-pyrimidine-3,5-dicarboxylate Traditional Name: 4-benzofurazan-5-yl-6-ethyl-2-methoxy-4H-pyrimidine-3,5-dicarboxylic acid O5-(2-isocyanoethyl) ester O3-(4-nitrophenyl) ester Formula: C24H20N6O8 MolecularWeight: 520.451

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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=CC4=NON=C4C=C3)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=CC4=NON=C4C=C3)C(=O)OCC[N+]#[C-]

InChI

InChI=1S/C24H20N6O8/c1-4-17-20(22(31)36-12-11-25-2)21(14-5-10-18-19(13-14)28-38-27-18)29(23(26-17)35-3)24(32)37-16-8-6-15(7-9-16)30(33)34/h5-10,13,21H,4,11-12H2,1,3H3