4-(4-bromanylbutyl)-7-nitro-1,4-benzoxazepine-3,5-dione

Systemtic Name: 4-(4-bromanylbutyl)-7-nitro-1,4-benzoxazepine-3,5-dione Openeye Name: 4-(4-bromobutyl)-7-nitro-1,4-benzoxazepine-3,5-dione CAS Name: 4-(4-bromobutyl)-7-nitro-1,4-benzoxazepine-3,5-dione IUPAC Name: 4-(4-bromobutyl)-7-nitro-1,4-benzoxazepine-3,5-dione Traditional Name: 4-(4-bromobutyl)-7-nitro-1,4-benzoxazepine-3,5-quinone Formula: C13H13BrN2O5 MolecularWeight: 357.15672

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C(=O)C2=C(O1)C=CC(=C2)[N+](=O)[O-])CCCCBr

Isomeric SMILES

C1C(=O)N(C(=O)C2=C(O1)C=CC(=C2)[N+](=O)[O-])CCCCBr

InChI

InChI=1S/C13H13BrN2O5/c14-5-1-2-6-15-12(17)8-21-11-4-3-9(16(19)20)7-10(11)13(15)18/h3-4,7H,1-2,5-6,8H2