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

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

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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=CC(=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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