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

Systemtic Name: 3-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]propyl 4-chloranyl-3-nitro-benzoate Openeye Name: 3-(5-bromo-1,3-dioxo-isoindolin-2-yl)propyl 4-chloro-3-nitro-benzoate CAS Name: 4-chloro-3-nitrobenzoic acid 3-(5-bromo-1,3-dioxo-2-isoindolyl)propyl ester IUPAC Name: 3-(5-bromo-1,3-dioxoisoindol-2-yl)propyl 4-chloro-3-nitrobenzoate Traditional Name: 4-chloro-3-nitro-benzoic acid 3-(5-bromo-1,3-diketo-isoindolin-2-yl)propyl ester Formula: C18H12BrClN2O6 MolecularWeight: 467.65468

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)OCCCN2C(=O)C3=C(C2=O)C=C(C=C3)Br)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=C(C=C1C(=O)OCCCN2C(=O)C3=C(C2=O)C=C(C=C3)Br)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H12BrClN2O6/c19-11-3-4-12-13(9-11)17(24)21(16(12)23)6-1-7-28-18(25)10-2-5-14(20)15(8-10)22(26)27/h2-5,8-9H,1,6-7H2