[2-oxidanylidene-3-(oxolan-2-ylmethylcarbamoyl)chromen-7-yl] 4-methyl-3,5-dinitro-benzoate

Systemtic Name: [2-oxidanylidene-3-(oxolan-2-ylmethylcarbamoyl)chromen-7-yl] 4-methyl-3,5-dinitro-benzoate Openeye Name: [2-oxo-3-(tetrahydrofuran-2-ylmethylcarbamoyl)chromen-7-yl] 4-methyl-3,5-dinitro-benzoate CAS Name: 4-methyl-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] 4-methyl-3,5-dinitrobenzoate Traditional Name: 4-methyl-3,5-dinitro-benzoic acid [2-keto-3-(tetrahydrofurfurylcarbamoyl)chromen-7-yl] ester Formula: C23H19N3O10 MolecularWeight: 497.41106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)OC2=CC3=C(C=C2)C=C(C(=O)O3)C(=O)NCC4CCCO4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)OC2=CC3=C(C=C2)C=C(C(=O)O3)C(=O)NCC4CCCO4)[N+](=O)[O-]

InChI

InChI=1S/C23H19N3O10/c1-12-18(25(30)31)8-14(9-19(12)26(32)33)22(28)35-15-5-4-13-7-17(23(29)36-20(13)10-15)21(27)24-11-16-3-2-6-34-16/h4-5,7-10,16H,2-3,6,11H2,1H3,(H,24,27)