2-isocyanoethyl 4-(2,1,3-benzoxadiazol-5-yl)-6-ethyl-2-methoxy-1,4-dihydropyrimidine-5-carboxylate

Systemtic Name: 2-isocyanoethyl 4-(2,1,3-benzoxadiazol-5-yl)-6-ethyl-2-methoxy-1,4-dihydropyrimidine-5-carboxylate Openeye Name: 2-isocyanoethyl 4-(2,1,3-benzoxadiazol-5-yl)-6-ethyl-2-methoxy-1,4-dihydropyrimidine-5-carboxylate CAS Name: 4-(2,1,3-benzoxadiazol-5-yl)-6-ethyl-2-methoxy-1,4-dihydropyrimidine-5-carboxylic acid 2-isocyanoethyl ester IUPAC Name: 2-isocyanoethyl 4-(2,1,3-benzoxadiazol-5-yl)-6-ethyl-2-methoxy-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 4-benzofurazan-5-yl-6-ethyl-2-methoxy-1,4-dihydropyrimidine-5-carboxylic acid 2-isocyanoethyl ester Formula: C17H17N5O4 MolecularWeight: 355.34798

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(N=C(N1)OC)C2=CC3=NON=C3C=C2)C(=O)OCC[N+]#[C-]

Isomeric SMILES

CCC1=C(C(N=C(N1)OC)C2=CC3=NON=C3C=C2)C(=O)OCC[N+]#[C-]

InChI

InChI=1S/C17H17N5O4/c1-4-11-14(16(23)25-8-7-18-2)15(20-17(19-11)24-3)10-5-6-12-13(9-10)22-26-21-12/h5-6,9,15H,4,7-8H2,1,3H3,(H,19,20)