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

Systemtic Name: 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl 4-bromanyl-3-nitro-benzoate Openeye Name: 4-(1,3-dioxoisoindolin-2-yl)butyl 4-bromo-3-nitro-benzoate CAS Name: 4-bromo-3-nitrobenzoic acid 4-(1,3-dioxo-2-isoindolyl)butyl ester IUPAC Name: 4-(1,3-dioxoisoindol-2-yl)butyl 4-bromo-3-nitrobenzoate Traditional Name: 4-bromo-3-nitro-benzoic acid 4-phthalimidobutyl ester Formula: C19H15BrN2O6 MolecularWeight: 447.2362

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCOC(=O)C3=CC(=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCOC(=O)C3=CC(=C(C=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C19H15BrN2O6/c20-15-8-7-12(11-16(15)22(26)27)19(25)28-10-4-3-9-21-17(23)13-5-1-2-6-14(13)18(21)24/h1-2,5-8,11H,3-4,9-10H2