[3-(2-methylpropylcarbamoyl)-2-oxidanylidene-chromen-7-yl] 2-nitrobenzoate

Systemtic Name: [3-(2-methylpropylcarbamoyl)-2-oxidanylidene-chromen-7-yl] 2-nitrobenzoate Openeye Name: [3-(isobutylcarbamoyl)-2-oxo-chromen-7-yl] 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid [3-[(2-methylpropylamino)-oxomethyl]-2-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(2-methylpropylcarbamoyl)-2-oxochromen-7-yl] 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid [3-(isobutylcarbamoyl)-2-keto-chromen-7-yl] ester Formula: C21H18N2O7 MolecularWeight: 410.37682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N2O7/c1-12(2)11-22-19(24)16-9-13-7-8-14(10-18(13)30-21(16)26)29-20(25)15-5-3-4-6-17(15)23(27)28/h3-10,12H,11H2,1-2H3,(H,22,24)