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

Systemtic Name: [3-(butan-2-ylcarbamoyl)-2-oxidanylidene-chromen-7-yl] 4-methyl-3-nitro-benzoate Openeye Name: [2-oxo-3-(sec-butylcarbamoyl)chromen-7-yl] 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitrobenzoic 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-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid [2-keto-3-(sec-butylcarbamoyl)chromen-7-yl] ester Formula: C22H20N2O7 MolecularWeight: 424.4034

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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)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)C)[N+](=O)[O-])OC1=O

InChI

InChI=1S/C22H20N2O7/c1-4-13(3)23-20(25)17-9-14-7-8-16(11-19(14)31-22(17)27)30-21(26)15-6-5-12(2)18(10-15)24(28)29/h5-11,13H,4H2,1-3H3,(H,23,25)