[3-(3,5-dimethylphenoxy)-4-oxidanylidene-chromen-7-yl] 3-methyl-4-nitro-benzoate

Systemtic Name: [3-(3,5-dimethylphenoxy)-4-oxidanylidene-chromen-7-yl] 3-methyl-4-nitro-benzoate Openeye Name: [3-(3,5-dimethylphenoxy)-4-oxo-chromen-7-yl] 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid [3-(3,5-dimethylphenoxy)-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(3,5-dimethylphenoxy)-4-oxochromen-7-yl] 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid [3-(3,5-dimethylphenoxy)-4-keto-chromen-7-yl] ester Formula: C25H19NO7 MolecularWeight: 445.42086

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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(=C(C=C4)[N+](=O)[O-])C)C

Isomeric SMILES

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

InChI

InChI=1S/C25H19NO7/c1-14-8-15(2)10-19(9-14)32-23-13-31-22-12-18(5-6-20(22)24(23)27)33-25(28)17-4-7-21(26(29)30)16(3)11-17/h4-13H,1-3H3