2-bromanyl-N-[4-(butanoylamino)phenyl]-5-nitro-benzamide

Systemtic Name: 2-bromanyl-N-[4-(butanoylamino)phenyl]-5-nitro-benzamide Openeye Name: 2-bromo-N-[4-(butanoylamino)phenyl]-5-nitro-benzamide CAS Name: 2-bromo-5-nitro-N-[4-(1-oxobutylamino)phenyl]benzamide IUPAC Name: 2-bromo-N-[4-(butanoylamino)phenyl]-5-nitrobenzamide Traditional Name: 2-bromo-N-(4-butyramidophenyl)-5-nitro-benzamide Formula: C17H16BrN3O4 MolecularWeight: 406.23064

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Br

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Br

InChI

InChI=1S/C17H16BrN3O4/c1-2-3-16(22)19-11-4-6-12(7-5-11)20-17(23)14-10-13(21(24)25)8-9-15(14)18/h4-10H,2-3H2,1H3,(H,19,22)(H,20,23)