[2-(4-tert-butylphenyl)-6-chloranyl-4-oxidanylidene-chromen-3-yl] 4-nitrobenzoate

Systemtic Name: [2-(4-tert-butylphenyl)-6-chloranyl-4-oxidanylidene-chromen-3-yl] 4-nitrobenzoate Openeye Name: [2-(4-tert-butylphenyl)-6-chloro-4-oxo-chromen-3-yl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [2-(4-tert-butylphenyl)-6-chloro-4-oxo-1-benzopyran-3-yl] ester IUPAC Name: [2-(4-tert-butylphenyl)-6-chloro-4-oxochromen-3-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [2-(4-tert-butylphenyl)-6-chloro-4-keto-chromen-3-yl] ester Formula: C26H20ClNO6 MolecularWeight: 477.8931

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=C(C(=O)C3=C(O2)C=CC(=C3)Cl)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=C(O2)C=CC(=C3)Cl)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

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