2-chloranyl-4-[5-[(E)-2-cyano-3-(3-nitrophenyl)-3-oxidanylidene-prop-1-enyl]furan-2-yl]benzoic acid

Systemtic Name: 2-chloranyl-4-[5-[(E)-2-cyano-3-(3-nitrophenyl)-3-oxidanylidene-prop-1-enyl]furan-2-yl]benzoic acid Openeye Name: 2-chloro-4-[5-[(E)-2-cyano-3-(3-nitrophenyl)-3-oxo-prop-1-enyl]-2-furyl]benzoic acid CAS Name: 2-chloro-4-[5-[(E)-2-cyano-3-(3-nitrophenyl)-3-oxoprop-1-enyl]-2-furanyl]benzoic acid IUPAC Name: 2-chloro-4-[5-[(E)-2-cyano-3-(3-nitrophenyl)-3-oxoprop-1-enyl]furan-2-yl]benzoic acid Traditional Name: 2-chloro-4-[5-[(E)-2-cyano-3-keto-3-(3-nitrophenyl)prop-1-enyl]-2-furyl]benzoic acid Formula: C21H11ClN2O6 MolecularWeight: 422.77484

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)C(=CC2=CC=C(O2)C3=CC(=C(C=C3)C(=O)O)Cl)C#N

Isomeric SMILES

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

InChI

InChI=1S/C21H11ClN2O6/c22-18-10-12(4-6-17(18)21(26)27)19-7-5-16(30-19)9-14(11-23)20(25)13-2-1-3-15(8-13)24(28)29/h1-10H,(H,26,27)/b14-9+