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

Systemtic Name: [3-(2-bromanylphenoxy)-4-oxidanylidene-chromen-7-yl] 4-methyl-3,5-dinitro-benzoate Openeye Name: [3-(2-bromophenoxy)-4-oxo-chromen-7-yl] 4-methyl-3,5-dinitro-benzoate CAS Name: 4-methyl-3,5-dinitrobenzoic acid [3-(2-bromophenoxy)-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(2-bromophenoxy)-4-oxochromen-7-yl] 4-methyl-3,5-dinitrobenzoate Traditional Name: 4-methyl-3,5-dinitro-benzoic acid [3-(2-bromophenoxy)-4-keto-chromen-7-yl] ester Formula: C23H13BrN2O9 MolecularWeight: 541.26132

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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=C4Br)[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=C4Br)[N+](=O)[O-]

InChI

InChI=1S/C23H13BrN2O9/c1-12-17(25(29)30)8-13(9-18(12)26(31)32)23(28)34-14-6-7-15-20(10-14)33-11-21(22(15)27)35-19-5-3-2-4-16(19)24/h2-11H,1H3