[3-(2-methylpropylcarbamoyl)-2-oxidanylidene-chromen-7-yl] 3,5-dinitrobenzoate

Systemtic Name: [3-(2-methylpropylcarbamoyl)-2-oxidanylidene-chromen-7-yl] 3,5-dinitrobenzoate Openeye Name: [3-(isobutylcarbamoyl)-2-oxo-chromen-7-yl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [3-[(2-methylpropylamino)-oxomethyl]-2-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(2-methylpropylcarbamoyl)-2-oxochromen-7-yl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [3-(isobutylcarbamoyl)-2-keto-chromen-7-yl] ester Formula: C21H17N3O9 MolecularWeight: 455.37438

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

InChI

InChI=1S/C21H17N3O9/c1-11(2)10-22-19(25)17-7-12-3-4-16(9-18(12)33-21(17)27)32-20(26)13-5-14(23(28)29)8-15(6-13)24(30)31/h3-9,11H,10H2,1-2H3,(H,22,25)