[3-(2-methoxyethylcarbamoyl)-2-oxidanylidene-chromen-7-yl] 2-chloranyl-5-nitro-benzoate

Systemtic Name: [3-(2-methoxyethylcarbamoyl)-2-oxidanylidene-chromen-7-yl] 2-chloranyl-5-nitro-benzoate Openeye Name: [3-(2-methoxyethylcarbamoyl)-2-oxo-chromen-7-yl] 2-chloro-5-nitro-benzoate CAS Name: 2-chloro-5-nitrobenzoic acid [3-[(2-methoxyethylamino)-oxomethyl]-2-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(2-methoxyethylcarbamoyl)-2-oxochromen-7-yl] 2-chloro-5-nitrobenzoate Traditional Name: 2-chloro-5-nitro-benzoic acid [2-keto-3-(2-methoxyethylcarbamoyl)chromen-7-yl] ester Formula: C20H15ClN2O8 MolecularWeight: 446.7947

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15ClN2O8/c1-29-7-6-22-18(24)15-8-11-2-4-13(10-17(11)31-20(15)26)30-19(25)14-9-12(23(27)28)3-5-16(14)21/h2-5,8-10H,6-7H2,1H3,(H,22,24)