propyl (4E)-3-methyl-4-[(3-nitrophenyl)carbonylhydrazinylidene]-6,7-dihydro-5H-1-benzofuran-2-carboxylate

Systemtic Name: propyl (4E)-3-methyl-4-[(3-nitrophenyl)carbonylhydrazinylidene]-6,7-dihydro-5H-1-benzofuran-2-carboxylate Openeye Name: propyl (4E)-3-methyl-4-[(3-nitrobenzoyl)hydrazono]-6,7-dihydro-5H-benzofuran-2-carboxylate CAS Name: (4E)-3-methyl-4-[[(3-nitrophenyl)-oxomethyl]hydrazinylidene]-6,7-dihydro-5H-benzofuran-2-carboxylic acid propyl ester IUPAC Name: propyl (4E)-3-methyl-4-[(3-nitrobenzoyl)hydrazinylidene]-6,7-dihydro-5H-1-benzofuran-2-carboxylate Traditional Name: (4E)-3-methyl-4-[(3-nitrobenzoyl)hydrazono]-6,7-dihydro-5H-benzofuran-2-carboxylic acid propyl ester Formula: C20H21N3O6 MolecularWeight: 399.39724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(C2=C(O1)CCCC2=NNC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CCCOC(=O)C1=C(C\2=C(O1)CCC/C2=N\NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C20H21N3O6/c1-3-10-28-20(25)18-12(2)17-15(8-5-9-16(17)29-18)21-22-19(24)13-6-4-7-14(11-13)23(26)27/h4,6-7,11H,3,5,8-10H2,1-2H3,(H,22,24)/b21-15+