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

Systemtic Name: [3-(4-tert-butylphenoxy)-4-oxidanylidene-chromen-7-yl] 2-chloranyl-4-nitro-benzoate Openeye Name: [3-(4-tert-butylphenoxy)-4-oxo-chromen-7-yl] 2-chloro-4-nitro-benzoate CAS Name: 2-chloro-4-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-4-nitrobenzoate Traditional Name: 2-chloro-4-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=C(C=C(C=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=C(C=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(9-11-20(22)24(23)29)35-25(30)19-10-6-16(28(31)32)12-21(19)27/h4-14H,1-3H3