[2-(4-tert-butylphenyl)-4-oxidanylidene-chromen-3-yl] 4-chloranyl-3-nitro-benzoate

Systemtic Name: [2-(4-tert-butylphenyl)-4-oxidanylidene-chromen-3-yl] 4-chloranyl-3-nitro-benzoate Openeye Name: [2-(4-tert-butylphenyl)-4-oxo-chromen-3-yl] 4-chloro-3-nitro-benzoate CAS Name: 4-chloro-3-nitrobenzoic acid [2-(4-tert-butylphenyl)-4-oxo-1-benzopyran-3-yl] ester IUPAC Name: [2-(4-tert-butylphenyl)-4-oxochromen-3-yl] 4-chloro-3-nitrobenzoate Traditional Name: 4-chloro-3-nitro-benzoic acid [2-(4-tert-butylphenyl)-4-keto-chromen-3-yl] ester Formula: C26H20ClNO6 MolecularWeight: 477.8931

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=C(C(=O)C3=CC=CC=C3O2)OC(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=C(C(=O)C3=CC=CC=C3O2)OC(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C26H20ClNO6/c1-26(2,3)17-11-8-15(9-12-17)23-24(22(29)18-6-4-5-7-21(18)33-23)34-25(30)16-10-13-19(27)20(14-16)28(31)32/h4-14H,1-3H3