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

Systemtic Name: [3-(2-ethylphenoxy)-4-oxidanylidene-chromen-7-yl] 4-methyl-3,5-dinitro-benzoate Openeye Name: [3-(2-ethylphenoxy)-4-oxo-chromen-7-yl] 4-methyl-3,5-dinitro-benzoate CAS Name: 4-methyl-3,5-dinitrobenzoic acid [3-(2-ethylphenoxy)-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(2-ethylphenoxy)-4-oxochromen-7-yl] 4-methyl-3,5-dinitrobenzoate Traditional Name: 4-methyl-3,5-dinitro-benzoic acid [3-(2-ethylphenoxy)-4-keto-chromen-7-yl] ester Formula: C25H18N2O9 MolecularWeight: 490.41842

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1OC2=COC3=C(C2=O)C=CC(=C3)OC(=O)C4=CC(=C(C(=C4)[N+](=O)[O-])C)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=CC=C1OC2=COC3=C(C2=O)C=CC(=C3)OC(=O)C4=CC(=C(C(=C4)[N+](=O)[O-])C)[N+](=O)[O-]

InChI

InChI=1S/C25H18N2O9/c1-3-15-6-4-5-7-21(15)36-23-13-34-22-12-17(8-9-18(22)24(23)28)35-25(29)16-10-19(26(30)31)14(2)20(11-16)27(32)33/h4-13H,3H2,1-2H3