1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl 4-oxidanylidenechromene-2-carboxylate

Systemtic Name: 1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl 4-oxidanylidenechromene-2-carboxylate Openeye Name: 1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl 4-oxochromene-2-carboxylate CAS Name: 4-oxo-1-benzopyran-2-carboxylic acid 1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl ester IUPAC Name: 1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl 4-oxochromene-2-carboxylate Traditional Name: 4-ketochromene-2-carboxylic acid 1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl ester Formula: C20H13N3O7 MolecularWeight: 407.33312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NN=C(O1)C2=CC=C(C=C2)[N+](=O)[O-])OC(=O)C3=CC(=O)C4=CC=CC=C4O3

Isomeric SMILES

CC(C1=NN=C(O1)C2=CC=C(C=C2)[N+](=O)[O-])OC(=O)C3=CC(=O)C4=CC=CC=C4O3

InChI

InChI=1S/C20H13N3O7/c1-11(18-21-22-19(30-18)12-6-8-13(9-7-12)23(26)27)28-20(25)17-10-15(24)14-4-2-3-5-16(14)29-17/h2-11H,1H3