[3-(4-chloranyl-3,5-dimethyl-phenoxy)-4-oxidanylidene-chromen-7-yl] 4-methyl-3,5-dinitro-benzoate

Systemtic Name: [3-(4-chloranyl-3,5-dimethyl-phenoxy)-4-oxidanylidene-chromen-7-yl] 4-methyl-3,5-dinitro-benzoate Openeye Name: [3-(4-chloro-3,5-dimethyl-phenoxy)-4-oxo-chromen-7-yl] 4-methyl-3,5-dinitro-benzoate CAS Name: 4-methyl-3,5-dinitrobenzoic acid [3-(4-chloro-3,5-dimethylphenoxy)-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(4-chloro-3,5-dimethylphenoxy)-4-oxochromen-7-yl] 4-methyl-3,5-dinitrobenzoate Traditional Name: 4-methyl-3,5-dinitro-benzoic acid [3-(4-chloro-3,5-dimethyl-phenoxy)-4-keto-chromen-7-yl] ester Formula: C25H17ClN2O9 MolecularWeight: 524.86348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OC2=COC3=C(C2=O)C=CC(=C3)OC(=O)C4=CC(=C(C(=C4)[N+](=O)[O-])C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OC2=COC3=C(C2=O)C=CC(=C3)OC(=O)C4=CC(=C(C(=C4)[N+](=O)[O-])C)[N+](=O)[O-]

InChI

InChI=1S/C25H17ClN2O9/c1-12-6-17(7-13(2)23(12)26)36-22-11-35-21-10-16(4-5-18(21)24(22)29)37-25(30)15-8-19(27(31)32)14(3)20(9-15)28(33)34/h4-11H,1-3H3