2-isocyanoethyl 6-ethyl-2-methoxy-4-(4-nitrophenyl)-1,4-dihydropyrimidine-5-carboxylate

Systemtic Name: 2-isocyanoethyl 6-ethyl-2-methoxy-4-(4-nitrophenyl)-1,4-dihydropyrimidine-5-carboxylate Openeye Name: 2-isocyanoethyl 6-ethyl-2-methoxy-4-(4-nitrophenyl)-1,4-dihydropyrimidine-5-carboxylate CAS Name: 6-ethyl-2-methoxy-4-(4-nitrophenyl)-1,4-dihydropyrimidine-5-carboxylic acid 2-isocyanoethyl ester IUPAC Name: 2-isocyanoethyl 6-ethyl-2-methoxy-4-(4-nitrophenyl)-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 6-ethyl-2-methoxy-4-(4-nitrophenyl)-1,4-dihydropyrimidine-5-carboxylic acid 2-isocyanoethyl ester Formula: C17H18N4O5 MolecularWeight: 358.34862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N4O5/c1-4-13-14(16(22)26-10-9-18-2)15(20-17(19-13)25-3)11-5-7-12(8-6-11)21(23)24/h5-8,15H,4,9-10H2,1,3H3,(H,19,20)