[2-oxidanylidene-3-(1-phenylethylcarbamoyl)chromen-7-yl] 3,5-dinitrobenzoate

Systemtic Name: [2-oxidanylidene-3-(1-phenylethylcarbamoyl)chromen-7-yl] 3,5-dinitrobenzoate Openeye Name: [2-oxo-3-(1-phenylethylcarbamoyl)chromen-7-yl] 3,5-dinitrobenzoate CAS Name: 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] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [2-keto-3-(1-phenylethylcarbamoyl)chromen-7-yl] ester Formula: C25H17N3O9 MolecularWeight: 503.41718

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C2=CC3=C(C=C(C=C3)OC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-])OC2=O

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=O)C2=CC3=C(C=C(C=C3)OC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-])OC2=O

InChI

InChI=1S/C25H17N3O9/c1-14(15-5-3-2-4-6-15)26-23(29)21-11-16-7-8-20(13-22(16)37-25(21)31)36-24(30)17-9-18(27(32)33)12-19(10-17)28(34)35/h2-14H,1H3,(H,26,29)