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

Systemtic Name: 3-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]propyl 4-nitrobenzoate Openeye Name: 3-(5-bromo-1,3-dioxo-isoindolin-2-yl)propyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid 3-(5-bromo-1,3-dioxo-2-isoindolyl)propyl ester IUPAC Name: 3-(5-bromo-1,3-dioxoisoindol-2-yl)propyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid 3-(5-bromo-1,3-diketo-isoindolin-2-yl)propyl ester Formula: C18H13BrN2O6 MolecularWeight: 433.20962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13BrN2O6/c19-12-4-7-14-15(10-12)17(23)20(16(14)22)8-1-9-27-18(24)11-2-5-13(6-3-11)21(25)26/h2-7,10H,1,8-9H2