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

Systemtic Name: [3-(2-methylpropylcarbamoyl)-2-oxidanylidene-chromen-7-yl] 4-methyl-3-nitro-benzoate Openeye Name: [3-(isobutylcarbamoyl)-2-oxo-chromen-7-yl] 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitrobenzoic acid [3-[(2-methylpropylamino)-oxomethyl]-2-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(2-methylpropylcarbamoyl)-2-oxochromen-7-yl] 4-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid [3-(isobutylcarbamoyl)-2-keto-chromen-7-yl] ester Formula: C22H20N2O7 MolecularWeight: 424.4034

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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)NCC(C)C)[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)NCC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C22H20N2O7/c1-12(2)11-23-20(25)17-8-14-6-7-16(10-19(14)31-22(17)27)30-21(26)15-5-4-13(3)18(9-15)24(28)29/h4-10,12H,11H2,1-3H3,(H,23,25)