(3E)-5-(3,4-dimethylphenyl)-3-[(5-nitrofuran-2-yl)methylidene]furan-2-one

Systemtic Name: (3E)-5-(3,4-dimethylphenyl)-3-[(5-nitrofuran-2-yl)methylidene]furan-2-one Openeye Name: (3E)-5-(3,4-dimethylphenyl)-3-[(5-nitro-2-furyl)methylene]furan-2-one CAS Name: (3E)-5-(3,4-dimethylphenyl)-3-[(5-nitro-2-furanyl)methylidene]-2-furanone IUPAC Name: (3E)-5-(3,4-dimethylphenyl)-3-[(5-nitrofuran-2-yl)methylidene]furan-2-one Traditional Name: (3E)-5-(3,4-dimethylphenyl)-3-[(5-nitro-2-furyl)methylene]furan-2-one Formula: C17H13NO5 MolecularWeight: 311.28882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CC(=CC3=CC=C(O3)[N+](=O)[O-])C(=O)O2)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=C/C(=C\C3=CC=C(O3)[N+](=O)[O-])/C(=O)O2)C

InChI

InChI=1S/C17H13NO5/c1-10-3-4-12(7-11(10)2)15-9-13(17(19)23-15)8-14-5-6-16(22-14)18(20)21/h3-9H,1-2H3/b13-8+