3-bromanyl-N-[2-nitro-4,5-bis(oxidanyl)phenyl]benzamide; propane

Systemtic Name: 3-bromanyl-N-[2-nitro-4,5-bis(oxidanyl)phenyl]benzamide; propane Openeye Name: 3-bromo-N-(4,5-dihydroxy-2-nitro-phenyl)benzamide; propane CAS Name: 3-bromo-N-(4,5-dihydroxy-2-nitrophenyl)benzamide; propane IUPAC Name: 3-bromo-N-(4,5-dihydroxy-2-nitrophenyl)benzamide; propane Traditional Name: 3-bromo-N-(4,5-dihydroxy-2-nitro-phenyl)benzamide; n-propane Formula: C19H25BrN2O5 MolecularWeight: 441.3162

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Descriptors Computed from Structure

Canonical SMILES:

CCC.CCC.C1=CC(=CC(=C1)Br)C(=O)NC2=CC(=C(C=C2[N+](=O)[O-])O)O

Isomeric SMILES

CCC.CCC.C1=CC(=CC(=C1)Br)C(=O)NC2=CC(=C(C=C2[N+](=O)[O-])O)O

InChI

InChI=1S/C13H9BrN2O5.2C3H8/c14-8-3-1-2-7(4-8)13(19)15-9-5-11(17)12(18)6-10(9)16(20)21;2*1-3-2/h1-6,17-18H,(H,15,19);2*3H2,1-2H3