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

Systemtic Name: [3-(4-tert-butylphenoxy)-4-oxidanylidene-chromen-7-yl] 3-methyl-4-nitro-benzoate Openeye Name: [3-(4-tert-butylphenoxy)-4-oxo-chromen-7-yl] 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid [3-(4-tert-butylphenoxy)-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(4-tert-butylphenoxy)-4-oxochromen-7-yl] 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid [3-(4-tert-butylphenoxy)-4-keto-chromen-7-yl] ester Formula: C27H23NO7 MolecularWeight: 473.47402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OC2=CC3=C(C=C2)C(=O)C(=CO3)OC4=CC=C(C=C4)C(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OC2=CC3=C(C=C2)C(=O)C(=CO3)OC4=CC=C(C=C4)C(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C27H23NO7/c1-16-13-17(5-12-22(16)28(31)32)26(30)35-20-10-11-21-23(14-20)33-15-24(25(21)29)34-19-8-6-18(7-9-19)27(2,3)4/h5-15H,1-4H3