[4-oxidanylidene-3-(2-propan-2-ylphenoxy)chromen-7-yl] 4-methyl-3,5-dinitro-benzoate

Systemtic Name: [4-oxidanylidene-3-(2-propan-2-ylphenoxy)chromen-7-yl] 4-methyl-3,5-dinitro-benzoate Openeye Name: [3-(2-isopropylphenoxy)-4-oxo-chromen-7-yl] 4-methyl-3,5-dinitro-benzoate CAS Name: 4-methyl-3,5-dinitrobenzoic acid [4-oxo-3-(2-propan-2-ylphenoxy)-1-benzopyran-7-yl] ester IUPAC Name: [4-oxo-3-(2-propan-2-ylphenoxy)chromen-7-yl] 4-methyl-3,5-dinitrobenzoate Traditional Name: 4-methyl-3,5-dinitro-benzoic acid [3-(2-isopropylphenoxy)-4-keto-chromen-7-yl] ester Formula: C26H20N2O9 MolecularWeight: 504.445

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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=CC=C4C(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=CC=C4C(C)C)[N+](=O)[O-]

InChI

InChI=1S/C26H20N2O9/c1-14(2)18-6-4-5-7-22(18)37-24-13-35-23-12-17(8-9-19(23)25(24)29)36-26(30)16-10-20(27(31)32)15(3)21(11-16)28(33)34/h4-14H,1-3H3