[4-oxidanylidene-3-(2-propan-2-ylphenoxy)chromen-7-yl] 3-methyl-4-nitro-benzoate

Systemtic Name: [4-oxidanylidene-3-(2-propan-2-ylphenoxy)chromen-7-yl] 3-methyl-4-nitro-benzoate Openeye Name: [3-(2-isopropylphenoxy)-4-oxo-chromen-7-yl] 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid [4-oxo-3-(2-propan-2-ylphenoxy)-1-benzopyran-7-yl] ester IUPAC Name: [4-oxo-3-(2-propan-2-ylphenoxy)chromen-7-yl] 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid [3-(2-isopropylphenoxy)-4-keto-chromen-7-yl] ester Formula: C26H21NO7 MolecularWeight: 459.44744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OC2=CC3=C(C=C2)C(=O)C(=CO3)OC4=CC=CC=C4C(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OC2=CC3=C(C=C2)C(=O)C(=CO3)OC4=CC=CC=C4C(C)C)[N+](=O)[O-]

InChI

InChI=1S/C26H21NO7/c1-15(2)19-6-4-5-7-22(19)34-24-14-32-23-13-18(9-10-20(23)25(24)28)33-26(29)17-8-11-21(27(30)31)16(3)12-17/h4-15H,1-3H3