3-[[4-nitro-2-[(E)-N-oxidanyl-C-phenyl-carbonimidoyl]phenyl]amino]propanoic acid

Systemtic Name: 3-[[4-nitro-2-[(E)-N-oxidanyl-C-phenyl-carbonimidoyl]phenyl]amino]propanoic acid Openeye Name: 3-[2-[(E)-N-hydroxy-C-phenyl-carbonimidoyl]-4-nitro-anilino]propanoic acid CAS Name: 3-[2-[(E)-hydroxyimino(phenyl)methyl]-4-nitroanilino]propanoic acid IUPAC Name: 3-[2-[(E)-N-hydroxy-C-phenylcarbonimidoyl]-4-nitroanilino]propanoic acid Traditional Name: 3-[4-nitro-2-[(E)-phenylcarbohydroximoyl]anilino]propionic acid Formula: C16H15N3O5 MolecularWeight: 329.3074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC=C(C=C1)/C(=N\O)/C2=C(C=CC(=C2)[N+](=O)[O-])NCCC(=O)O

InChI

InChI=1S/C16H15N3O5/c20-15(21)8-9-17-14-7-6-12(19(23)24)10-13(14)16(18-22)11-4-2-1-3-5-11/h1-7,10,17,22H,8-9H2,(H,20,21)/b18-16+