[3-(4-tert-butylphenoxy)-4-oxidanylidene-chromen-7-yl] 2-chloranyl-5-nitro-benzoate

Systemtic Name: [3-(4-tert-butylphenoxy)-4-oxidanylidene-chromen-7-yl] 2-chloranyl-5-nitro-benzoate Openeye Name: [3-(4-tert-butylphenoxy)-4-oxo-chromen-7-yl] 2-chloro-5-nitro-benzoate CAS Name: 2-chloro-5-nitrobenzoic acid [3-(4-tert-butylphenoxy)-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(4-tert-butylphenoxy)-4-oxochromen-7-yl] 2-chloro-5-nitrobenzoate Traditional Name: 2-chloro-5-nitro-benzoic acid [3-(4-tert-butylphenoxy)-4-keto-chromen-7-yl] ester Formula: C26H20ClNO7 MolecularWeight: 493.8925

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OC2=COC3=C(C2=O)C=CC(=C3)OC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OC2=COC3=C(C2=O)C=CC(=C3)OC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C26H20ClNO7/c1-26(2,3)15-4-7-17(8-5-15)34-23-14-33-22-13-18(9-10-19(22)24(23)29)35-25(30)20-12-16(28(31)32)6-11-21(20)27/h4-14H,1-3H3