5-bromanyl-2-(2,2-diethoxyethyl)-3-(1-nitroethyl)-3H-isoindol-1-one

Systemtic Name: 5-bromanyl-2-(2,2-diethoxyethyl)-3-(1-nitroethyl)-3H-isoindol-1-one Openeye Name: 5-bromo-2-(2,2-diethoxyethyl)-3-(1-nitroethyl)isoindolin-1-one CAS Name: 5-bromo-2-(2,2-diethoxyethyl)-3-(1-nitroethyl)-3H-isoindol-1-one IUPAC Name: 5-bromo-2-(2,2-diethoxyethyl)-3-(1-nitroethyl)-3H-isoindol-1-one Traditional Name: 5-bromo-2-(2,2-diethoxyethyl)-3-(1-nitroethyl)isoindolin-1-one Formula: C16H21BrN2O5 MolecularWeight: 401.25234

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CN1C(C2=C(C1=O)C=CC(=C2)Br)C(C)[N+](=O)[O-])OCC

Isomeric SMILES

CCOC(CN1C(C2=C(C1=O)C=CC(=C2)Br)C(C)[N+](=O)[O-])OCC

InChI

InChI=1S/C16H21BrN2O5/c1-4-23-14(24-5-2)9-18-15(10(3)19(21)22)13-8-11(17)6-7-12(13)16(18)20/h6-8,10,14-15H,4-5,9H2,1-3H3