2-[(6-bromanyl-4-oxidanylidene-3,1-benzoxazin-2-yl)methyl]-5-nitro-isoindole-1,3-dione

Systemtic Name: 2-[(6-bromanyl-4-oxidanylidene-3,1-benzoxazin-2-yl)methyl]-5-nitro-isoindole-1,3-dione Openeye Name: 2-[(6-bromo-4-oxo-3,1-benzoxazin-2-yl)methyl]-5-nitro-isoindoline-1,3-dione CAS Name: 2-[(6-bromo-4-oxo-3,1-benzoxazin-2-yl)methyl]-5-nitroisoindole-1,3-dione IUPAC Name: 2-[(6-bromo-4-oxo-3,1-benzoxazin-2-yl)methyl]-5-nitroisoindole-1,3-dione Traditional Name: 2-[(6-bromo-4-keto-3,1-benzoxazin-2-yl)methyl]-5-nitro-isoindoline-1,3-quinone Formula: C17H8BrN3O6 MolecularWeight: 430.16592

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])C(=O)N(C2=O)CC3=NC4=C(C=C(C=C4)Br)C(=O)O3

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])C(=O)N(C2=O)CC3=NC4=C(C=C(C=C4)Br)C(=O)O3

InChI

InChI=1S/C17H8BrN3O6/c18-8-1-4-13-12(5-8)17(24)27-14(19-13)7-20-15(22)10-3-2-9(21(25)26)6-11(10)16(20)23/h1-6H,7H2