[2-oxidanylidene-3-(oxolan-2-ylmethylcarbamoyl)chromen-7-yl] 3-nitrobenzoate

Systemtic Name: [2-oxidanylidene-3-(oxolan-2-ylmethylcarbamoyl)chromen-7-yl] 3-nitrobenzoate Openeye Name: [2-oxo-3-(tetrahydrofuran-2-ylmethylcarbamoyl)chromen-7-yl] 3-nitrobenzoate CAS Name: 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] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [2-keto-3-(tetrahydrofurfurylcarbamoyl)chromen-7-yl] ester Formula: C22H18N2O8 MolecularWeight: 438.38692

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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(=CC=C4)[N+](=O)[O-])OC2=O

Isomeric SMILES

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

InChI

InChI=1S/C22H18N2O8/c25-20(23-12-17-5-2-8-30-17)18-10-13-6-7-16(11-19(13)32-22(18)27)31-21(26)14-3-1-4-15(9-14)24(28)29/h1,3-4,6-7,9-11,17H,2,5,8,12H2,(H,23,25)