[2-(4-tert-butylphenyl)-4-oxidanylidene-chromen-3-yl] 4-nitrobenzoate

Systemtic Name: [2-(4-tert-butylphenyl)-4-oxidanylidene-chromen-3-yl] 4-nitrobenzoate Openeye Name: [2-(4-tert-butylphenyl)-4-oxo-chromen-3-yl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [2-(4-tert-butylphenyl)-4-oxo-1-benzopyran-3-yl] ester IUPAC Name: [2-(4-tert-butylphenyl)-4-oxochromen-3-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [2-(4-tert-butylphenyl)-4-keto-chromen-3-yl] ester Formula: C26H21NO6 MolecularWeight: 443.44804

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

InChI

InChI=1S/C26H21NO6/c1-26(2,3)18-12-8-16(9-13-18)23-24(22(28)20-6-4-5-7-21(20)32-23)33-25(29)17-10-14-19(15-11-17)27(30)31/h4-15H,1-3H3