[(2Z)-2-[(3-nitrophenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] 4-methylbenzoate

Systemtic Name: [(2Z)-2-[(3-nitrophenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] 4-methylbenzoate Openeye Name: [(2Z)-2-[(3-nitrophenyl)methylene]-3-oxo-benzofuran-6-yl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [(2Z)-2-[(3-nitrophenyl)methylidene]-3-oxo-6-benzofuranyl] ester IUPAC Name: [(2Z)-2-[(3-nitrophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [(2Z)-3-keto-2-(3-nitrobenzylidene)coumaran-6-yl] ester Formula: C23H15NO6 MolecularWeight: 401.3683

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2=CC3=C(C=C2)C(=O)C(=CC4=CC(=CC=C4)[N+](=O)[O-])O3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2=CC3=C(C=C2)C(=O)/C(=C/C4=CC(=CC=C4)[N+](=O)[O-])/O3

InChI

InChI=1S/C23H15NO6/c1-14-5-7-16(8-6-14)23(26)29-18-9-10-19-20(13-18)30-21(22(19)25)12-15-3-2-4-17(11-15)24(27)28/h2-13H,1H3/b21-12-