[3-(furan-2-ylmethylcarbamoyl)-2-oxidanylidene-chromen-7-yl] 4-chloranyl-3-nitro-benzoate

Systemtic Name: [3-(furan-2-ylmethylcarbamoyl)-2-oxidanylidene-chromen-7-yl] 4-chloranyl-3-nitro-benzoate Openeye Name: [3-(2-furylmethylcarbamoyl)-2-oxo-chromen-7-yl] 4-chloro-3-nitro-benzoate CAS Name: 4-chloro-3-nitrobenzoic acid [3-[(2-furanylmethylamino)-oxomethyl]-2-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(furan-2-ylmethylcarbamoyl)-2-oxochromen-7-yl] 4-chloro-3-nitrobenzoate Traditional Name: 4-chloro-3-nitro-benzoic acid [3-(2-furfurylcarbamoyl)-2-keto-chromen-7-yl] ester Formula: C22H13ClN2O8 MolecularWeight: 468.80022

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CNC(=O)C2=CC3=C(C=C(C=C3)OC(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-])OC2=O

Isomeric SMILES

C1=COC(=C1)CNC(=O)C2=CC3=C(C=C(C=C3)OC(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-])OC2=O

InChI

InChI=1S/C22H13ClN2O8/c23-17-6-4-13(9-18(17)25(29)30)21(27)32-14-5-3-12-8-16(22(28)33-19(12)10-14)20(26)24-11-15-2-1-7-31-15/h1-10H,11H2,(H,24,26)