[4-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]phenyl] 4-bromanyl-3-nitro-benzoate

Systemtic Name: [4-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]phenyl] 4-bromanyl-3-nitro-benzoate Openeye Name: [4-(5-nitro-1,3-dioxo-isoindolin-2-yl)phenyl] 4-bromo-3-nitro-benzoate CAS Name: 4-bromo-3-nitrobenzoic acid [4-(5-nitro-1,3-dioxo-2-isoindolyl)phenyl] ester IUPAC Name: [4-(5-nitro-1,3-dioxoisoindol-2-yl)phenyl] 4-bromo-3-nitrobenzoate Traditional Name: 4-bromo-3-nitro-benzoic acid [4-(1,3-diketo-5-nitro-isoindolin-2-yl)phenyl] ester Formula: C21H10BrN3O8 MolecularWeight: 512.2234

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])OC(=O)C4=CC(=C(C=C4)Br)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1N2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])OC(=O)C4=CC(=C(C=C4)Br)[N+](=O)[O-]

InChI

InChI=1S/C21H10BrN3O8/c22-17-8-1-11(9-18(17)25(31)32)21(28)33-14-5-2-12(3-6-14)23-19(26)15-7-4-13(24(29)30)10-16(15)20(23)27/h1-10H