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

Systemtic Name: [(2Z)-2-[(3-nitrophenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] 2-chloranylbenzoate Openeye Name: [(2Z)-2-[(3-nitrophenyl)methylene]-3-oxo-benzofuran-6-yl] 2-chlorobenzoate CAS Name: 2-chlorobenzoic acid [(2Z)-2-[(3-nitrophenyl)methylidene]-3-oxo-6-benzofuranyl] ester IUPAC Name: [(2Z)-2-[(3-nitrophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 2-chlorobenzoate Traditional Name: 2-chlorobenzoic acid [(2Z)-3-keto-2-(3-nitrobenzylidene)coumaran-6-yl] ester Formula: C22H12ClNO6 MolecularWeight: 421.78678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H12ClNO6/c23-18-7-2-1-6-16(18)22(26)29-15-8-9-17-19(12-15)30-20(21(17)25)11-13-4-3-5-14(10-13)24(27)28/h1-12H/b20-11-