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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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