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

Systemtic Name: [3-(butan-2-ylcarbamoyl)-2-oxidanylidene-chromen-7-yl] 4-methyl-3,5-dinitro-benzoate Openeye Name: [2-oxo-3-(sec-butylcarbamoyl)chromen-7-yl] 4-methyl-3,5-dinitro-benzoate CAS Name: 4-methyl-3,5-dinitrobenzoic acid [3-[(butan-2-ylamino)-oxomethyl]-2-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(butan-2-ylcarbamoyl)-2-oxochromen-7-yl] 4-methyl-3,5-dinitrobenzoate Traditional Name: 4-methyl-3,5-dinitro-benzoic acid [2-keto-3-(sec-butylcarbamoyl)chromen-7-yl] ester Formula: C22H19N3O9 MolecularWeight: 469.40096

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=CC2=C(C=C(C=C2)OC(=O)C3=CC(=C(C(=C3)[N+](=O)[O-])C)[N+](=O)[O-])OC1=O

Isomeric SMILES

CCC(C)NC(=O)C1=CC2=C(C=C(C=C2)OC(=O)C3=CC(=C(C(=C3)[N+](=O)[O-])C)[N+](=O)[O-])OC1=O

InChI

InChI=1S/C22H19N3O9/c1-4-11(2)23-20(26)16-7-13-5-6-15(10-19(13)34-22(16)28)33-21(27)14-8-17(24(29)30)12(3)18(9-14)25(31)32/h5-11H,4H2,1-3H3,(H,23,26)