[3-(2-methoxyethylcarbamoyl)-2-oxidanylidene-chromen-7-yl] 4-methyl-3-nitro-benzoate

Systemtic Name: [3-(2-methoxyethylcarbamoyl)-2-oxidanylidene-chromen-7-yl] 4-methyl-3-nitro-benzoate Openeye Name: [3-(2-methoxyethylcarbamoyl)-2-oxo-chromen-7-yl] 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitrobenzoic acid [3-[(2-methoxyethylamino)-oxomethyl]-2-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(2-methoxyethylcarbamoyl)-2-oxochromen-7-yl] 4-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid [2-keto-3-(2-methoxyethylcarbamoyl)chromen-7-yl] ester Formula: C21H18N2O8 MolecularWeight: 426.37622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N2O8/c1-12-3-4-14(10-17(12)23(27)28)20(25)30-15-6-5-13-9-16(19(24)22-7-8-29-2)21(26)31-18(13)11-15/h3-6,9-11H,7-8H2,1-2H3,(H,22,24)