4-bromanyl-N-[2-[(5-nitro-2-oxidanyl-phenyl)methylamino]-2-oxidanylidene-ethyl]benzamide

Systemtic Name: 4-bromanyl-N-[2-[(5-nitro-2-oxidanyl-phenyl)methylamino]-2-oxidanylidene-ethyl]benzamide Openeye Name: 4-bromo-N-[2-[(2-hydroxy-5-nitro-phenyl)methylamino]-2-oxo-ethyl]benzamide CAS Name: 4-bromo-N-[2-[(2-hydroxy-5-nitrophenyl)methylamino]-2-oxoethyl]benzamide IUPAC Name: 4-bromo-N-[2-[(2-hydroxy-5-nitrophenyl)methylamino]-2-oxoethyl]benzamide Traditional Name: 4-bromo-N-[2-[(2-hydroxy-5-nitro-benzyl)amino]-2-keto-ethyl]benzamide Formula: C16H14BrN3O5 MolecularWeight: 408.20346

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NCC(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])O)Br

Isomeric SMILES

C1=CC(=CC=C1C(=O)NCC(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])O)Br

InChI

InChI=1S/C16H14BrN3O5/c17-12-3-1-10(2-4-12)16(23)19-9-15(22)18-8-11-7-13(20(24)25)5-6-14(11)21/h1-7,21H,8-9H2,(H,18,22)(H,19,23)