methyl 2-chloranyl-5-[5-[(E)-2-cyano-3-(3-nitrophenyl)-3-oxidanylidene-prop-1-enyl]furan-2-yl]benzoate

Systemtic Name: methyl 2-chloranyl-5-[5-[(E)-2-cyano-3-(3-nitrophenyl)-3-oxidanylidene-prop-1-enyl]furan-2-yl]benzoate Openeye Name: methyl 2-chloro-5-[5-[(E)-2-cyano-3-(3-nitrophenyl)-3-oxo-prop-1-enyl]-2-furyl]benzoate CAS Name: 2-chloro-5-[5-[(E)-2-cyano-3-(3-nitrophenyl)-3-oxoprop-1-enyl]-2-furanyl]benzoic acid methyl ester IUPAC Name: methyl 2-chloro-5-[5-[(E)-2-cyano-3-(3-nitrophenyl)-3-oxoprop-1-enyl]furan-2-yl]benzoate Traditional Name: 2-chloro-5-[5-[(E)-2-cyano-3-keto-3-(3-nitrophenyl)prop-1-enyl]-2-furyl]benzoic acid methyl ester Formula: C22H13ClN2O6 MolecularWeight: 436.80142

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)C2=CC=C(O2)C=C(C#N)C(=O)C3=CC(=CC=C3)[N+](=O)[O-])Cl

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)C2=CC=C(O2)/C=C(\C#N)/C(=O)C3=CC(=CC=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C22H13ClN2O6/c1-30-22(27)18-11-13(5-7-19(18)23)20-8-6-17(31-20)10-15(12-24)21(26)14-3-2-4-16(9-14)25(28)29/h2-11H,1H3/b15-10+