[3-(3-methylphenoxy)-4-oxidanylidene-chromen-7-yl] 3,5-dinitrobenzoate

Systemtic Name: [3-(3-methylphenoxy)-4-oxidanylidene-chromen-7-yl] 3,5-dinitrobenzoate Openeye Name: [3-(3-methylphenoxy)-4-oxo-chromen-7-yl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [3-(3-methylphenoxy)-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(3-methylphenoxy)-4-oxochromen-7-yl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [4-keto-3-(3-methylphenoxy)chromen-7-yl] ester Formula: C23H14N2O9 MolecularWeight: 462.36526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC2=COC3=C(C2=O)C=CC(=C3)OC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)OC2=COC3=C(C2=O)C=CC(=C3)OC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C23H14N2O9/c1-13-3-2-4-17(7-13)33-21-12-32-20-11-18(5-6-19(20)22(21)26)34-23(27)14-8-15(24(28)29)10-16(9-14)25(30)31/h2-12H,1H3