[2-oxidanylidene-3-(oxolan-2-ylmethylcarbamoyl)chromen-7-yl] 3,5-dinitrobenzoate

Systemtic Name: [2-oxidanylidene-3-(oxolan-2-ylmethylcarbamoyl)chromen-7-yl] 3,5-dinitrobenzoate Openeye Name: [2-oxo-3-(tetrahydrofuran-2-ylmethylcarbamoyl)chromen-7-yl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [2-oxo-3-[oxo-(2-oxolanylmethylamino)methyl]-1-benzopyran-7-yl] ester IUPAC Name: [2-oxo-3-(oxolan-2-ylmethylcarbamoyl)chromen-7-yl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [2-keto-3-(tetrahydrofurfurylcarbamoyl)chromen-7-yl] ester Formula: C22H17N3O10 MolecularWeight: 483.38448

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

InChI

InChI=1S/C22H17N3O10/c26-20(23-11-17-2-1-5-33-17)18-8-12-3-4-16(10-19(12)35-22(18)28)34-21(27)13-6-14(24(29)30)9-15(7-13)25(31)32/h3-4,6-10,17H,1-2,5,11H2,(H,23,26)