[3-(3,5-dimethylphenoxy)-4-oxidanylidene-chromen-7-yl] 2-nitrobenzoate

Systemtic Name: [3-(3,5-dimethylphenoxy)-4-oxidanylidene-chromen-7-yl] 2-nitrobenzoate Openeye Name: [3-(3,5-dimethylphenoxy)-4-oxo-chromen-7-yl] 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid [3-(3,5-dimethylphenoxy)-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(3,5-dimethylphenoxy)-4-oxochromen-7-yl] 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid [3-(3,5-dimethylphenoxy)-4-keto-chromen-7-yl] ester Formula: C24H17NO7 MolecularWeight: 431.39428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2=COC3=C(C2=O)C=CC(=C3)OC(=O)C4=CC=CC=C4[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=COC3=C(C2=O)C=CC(=C3)OC(=O)C4=CC=CC=C4[N+](=O)[O-])C

InChI

InChI=1S/C24H17NO7/c1-14-9-15(2)11-17(10-14)31-22-13-30-21-12-16(7-8-19(21)23(22)26)32-24(27)18-5-3-4-6-20(18)25(28)29/h3-13H,1-2H3