3-(4-azanyl-2-nitro-phenoxy)-1-bromanyl-3-methyl-butan-2-one

Systemtic Name: 3-(4-azanyl-2-nitro-phenoxy)-1-bromanyl-3-methyl-butan-2-one Openeye Name: 3-(4-amino-2-nitro-phenoxy)-1-bromo-3-methyl-butan-2-one CAS Name: 3-(4-amino-2-nitrophenoxy)-1-bromo-3-methyl-2-butanone IUPAC Name: 3-(4-amino-2-nitrophenoxy)-1-bromo-3-methylbutan-2-one Traditional Name: 3-(4-amino-2-nitro-phenoxy)-1-bromo-3-methyl-butan-2-one Formula: C11H13BrN2O4 MolecularWeight: 317.13592

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)CBr)OC1=C(C=C(C=C1)N)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C(=O)CBr)OC1=C(C=C(C=C1)N)[N+](=O)[O-]

InChI

InChI=1S/C11H13BrN2O4/c1-11(2,10(15)6-12)18-9-4-3-7(13)5-8(9)14(16)17/h3-5H,6,13H2,1-2H3