[2-(4-tert-butylphenyl)-7-methyl-4-oxidanylidene-chromen-3-yl] 4-nitrobenzoate

Systemtic Name: [2-(4-tert-butylphenyl)-7-methyl-4-oxidanylidene-chromen-3-yl] 4-nitrobenzoate Openeye Name: [2-(4-tert-butylphenyl)-7-methyl-4-oxo-chromen-3-yl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [2-(4-tert-butylphenyl)-7-methyl-4-oxo-1-benzopyran-3-yl] ester IUPAC Name: [2-(4-tert-butylphenyl)-7-methyl-4-oxochromen-3-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [2-(4-tert-butylphenyl)-4-keto-7-methyl-chromen-3-yl] ester Formula: C27H23NO6 MolecularWeight: 457.47462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=O)C(=C(O2)C3=CC=C(C=C3)C(C)(C)C)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)C(=O)C(=C(O2)C3=CC=C(C=C3)C(C)(C)C)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C27H23NO6/c1-16-5-14-21-22(15-16)33-24(17-6-10-19(11-7-17)27(2,3)4)25(23(21)29)34-26(30)18-8-12-20(13-9-18)28(31)32/h5-15H,1-4H3