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

Systemtic Name: [3-(2-methoxyethylcarbamoyl)-2-oxidanylidene-chromen-7-yl] 3,5-dinitrobenzoate Openeye Name: [3-(2-methoxyethylcarbamoyl)-2-oxo-chromen-7-yl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [3-[(2-methoxyethylamino)-oxomethyl]-2-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(2-methoxyethylcarbamoyl)-2-oxochromen-7-yl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [2-keto-3-(2-methoxyethylcarbamoyl)chromen-7-yl] ester Formula: C20H15N3O10 MolecularWeight: 457.3472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15N3O10/c1-31-5-4-21-18(24)16-8-11-2-3-15(10-17(11)33-20(16)26)32-19(25)12-6-13(22(27)28)9-14(7-12)23(29)30/h2-3,6-10H,4-5H2,1H3,(H,21,24)