[3-(4-tert-butylphenoxy)-4-oxidanylidene-chromen-7-yl] 4-methyl-3,5-dinitro-benzoate

Systemtic Name: [3-(4-tert-butylphenoxy)-4-oxidanylidene-chromen-7-yl] 4-methyl-3,5-dinitro-benzoate Openeye Name: [3-(4-tert-butylphenoxy)-4-oxo-chromen-7-yl] 4-methyl-3,5-dinitro-benzoate CAS Name: 4-methyl-3,5-dinitrobenzoic acid [3-(4-tert-butylphenoxy)-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(4-tert-butylphenoxy)-4-oxochromen-7-yl] 4-methyl-3,5-dinitrobenzoate Traditional Name: 4-methyl-3,5-dinitro-benzoic acid [3-(4-tert-butylphenoxy)-4-keto-chromen-7-yl] ester Formula: C27H22N2O9 MolecularWeight: 518.47158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])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=C(C=C1[N+](=O)[O-])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/C27H22N2O9/c1-15-21(28(32)33)11-16(12-22(15)29(34)35)26(31)38-19-9-10-20-23(13-19)36-14-24(25(20)30)37-18-7-5-17(6-8-18)27(2,3)4/h5-14H,1-4H3