[3-bromanyl-4-(3,5-dinitrophenyl)carbonyloxy-phenyl] 3,5-dinitrobenzoate

Systemtic Name: [3-bromanyl-4-(3,5-dinitrophenyl)carbonyloxy-phenyl] 3,5-dinitrobenzoate Openeye Name: [3-bromo-4-(3,5-dinitrobenzoyl)oxy-phenyl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [3-bromo-4-[(3,5-dinitrophenyl)-oxomethoxy]phenyl] ester IUPAC Name: [3-bromo-4-(3,5-dinitrobenzoyl)oxyphenyl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [3-bromo-4-(3,5-dinitrobenzoyl)oxy-phenyl] ester Formula: C20H9BrN4O12 MolecularWeight: 577.20906

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])Br)OC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])Br)OC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H9BrN4O12/c21-17-9-16(36-19(26)10-3-12(22(28)29)7-13(4-10)23(30)31)1-2-18(17)37-20(27)11-5-14(24(32)33)8-15(6-11)25(34)35/h1-9H