[2-oxidanylidene-3-(1-phenylethylcarbamoyl)chromen-7-yl] 4-methyl-3,5-dinitro-benzoate

Systemtic Name: [2-oxidanylidene-3-(1-phenylethylcarbamoyl)chromen-7-yl] 4-methyl-3,5-dinitro-benzoate Openeye Name: [2-oxo-3-(1-phenylethylcarbamoyl)chromen-7-yl] 4-methyl-3,5-dinitro-benzoate CAS Name: 4-methyl-3,5-dinitrobenzoic acid [2-oxo-3-[oxo-(1-phenylethylamino)methyl]-1-benzopyran-7-yl] ester IUPAC Name: [2-oxo-3-(1-phenylethylcarbamoyl)chromen-7-yl] 4-methyl-3,5-dinitrobenzoate Traditional Name: 4-methyl-3,5-dinitro-benzoic acid [2-keto-3-(1-phenylethylcarbamoyl)chromen-7-yl] ester Formula: C26H19N3O9 MolecularWeight: 517.44376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)OC2=CC3=C(C=C2)C=C(C(=O)O3)C(=O)NC(C)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)OC2=CC3=C(C=C2)C=C(C(=O)O3)C(=O)NC(C)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H19N3O9/c1-14-21(28(33)34)11-18(12-22(14)29(35)36)25(31)37-19-9-8-17-10-20(26(32)38-23(17)13-19)24(30)27-15(2)16-6-4-3-5-7-16/h3-13,15H,1-2H3,(H,27,30)