[3-(2,5-dimethylphenoxy)-4-oxidanylidene-chromen-7-yl] 2-methyl-3-nitro-benzoate

Systemtic Name: [3-(2,5-dimethylphenoxy)-4-oxidanylidene-chromen-7-yl] 2-methyl-3-nitro-benzoate Openeye Name: [3-(2,5-dimethylphenoxy)-4-oxo-chromen-7-yl] 2-methyl-3-nitro-benzoate CAS Name: 2-methyl-3-nitrobenzoic acid [3-(2,5-dimethylphenoxy)-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(2,5-dimethylphenoxy)-4-oxochromen-7-yl] 2-methyl-3-nitrobenzoate Traditional Name: 2-methyl-3-nitro-benzoic acid [3-(2,5-dimethylphenoxy)-4-keto-chromen-7-yl] ester Formula: C25H19NO7 MolecularWeight: 445.42086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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