2-[[5-[(E)-C-(3-bromophenyl)-N-oxidanyl-carbonimidoyl]-2-nitro-phenyl]methylamino]ethanoic acid

Systemtic Name: 2-[[5-[(E)-C-(3-bromophenyl)-N-oxidanyl-carbonimidoyl]-2-nitro-phenyl]methylamino]ethanoic acid Openeye Name: 2-[[5-[(E)-C-(3-bromophenyl)-N-hydroxy-carbonimidoyl]-2-nitro-phenyl]methylamino]acetic acid CAS Name: 2-[[5-[(E)-(3-bromophenyl)-hydroxyiminomethyl]-2-nitrophenyl]methylamino]acetic acid IUPAC Name: 2-[[5-[(E)-C-(3-bromophenyl)-N-hydroxycarbonimidoyl]-2-nitrophenyl]methylamino]acetic acid Traditional Name: 2-[[5-[(E)-(3-bromophenyl)carbohydroximoyl]-2-nitro-benzyl]amino]acetic acid Formula: C16H14BrN3O5 MolecularWeight: 408.20346

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)C(=NO)C2=CC(=C(C=C2)[N+](=O)[O-])CNCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C16H14BrN3O5/c17-13-3-1-2-10(7-13)16(19-23)11-4-5-14(20(24)25)12(6-11)8-18-9-15(21)22/h1-7,18,23H,8-9H2,(H,21,22)/b19-16-