N-(2-bromanyl-4-nitro-phenyl)-3-nitro-N-propanoyl-benzamide

Systemtic Name: N-(2-bromanyl-4-nitro-phenyl)-3-nitro-N-propanoyl-benzamide Openeye Name: N-(2-bromo-4-nitro-phenyl)-3-nitro-N-propanoyl-benzamide CAS Name: N-(2-bromo-4-nitrophenyl)-3-nitro-N-(1-oxopropyl)benzamide IUPAC Name: N-(2-bromo-4-nitrophenyl)-3-nitro-N-propanoylbenzamide Traditional Name: N-(2-bromo-4-nitro-phenyl)-3-nitro-N-propionyl-benzamide Formula: C16H12BrN3O6 MolecularWeight: 422.18698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12BrN3O6/c1-2-15(21)18(14-7-6-12(20(25)26)9-13(14)17)16(22)10-4-3-5-11(8-10)19(23)24/h3-9H,2H2,1H3