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

Systemtic Name: [2-oxidanylidene-3-(oxolan-2-ylmethylcarbamoyl)chromen-7-yl] 4-chloranyl-3-nitro-benzoate Openeye Name: [2-oxo-3-(tetrahydrofuran-2-ylmethylcarbamoyl)chromen-7-yl] 4-chloro-3-nitro-benzoate CAS Name: 4-chloro-3-nitrobenzoic acid [2-oxo-3-[oxo-(2-oxolanylmethylamino)methyl]-1-benzopyran-7-yl] ester IUPAC Name: [2-oxo-3-(oxolan-2-ylmethylcarbamoyl)chromen-7-yl] 4-chloro-3-nitrobenzoate Traditional Name: 4-chloro-3-nitro-benzoic acid [2-keto-3-(tetrahydrofurfurylcarbamoyl)chromen-7-yl] ester Formula: C22H17ClN2O8 MolecularWeight: 472.83198

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=O)C2=CC3=C(C=C(C=C3)OC(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-])OC2=O

Isomeric SMILES

C1CC(OC1)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/C22H17ClN2O8/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/h3-6,8-10,15H,1-2,7,11H2,(H,24,26)