(4E)-4-[4-[(4-chloranyl-3-nitro-phenyl)carbonylamino]phenyl]-4-hydroxyimino-butanoic acid

Systemtic Name: (4E)-4-[4-[(4-chloranyl-3-nitro-phenyl)carbonylamino]phenyl]-4-hydroxyimino-butanoic acid Openeye Name: (4E)-4-[4-[(4-chloro-3-nitro-benzoyl)amino]phenyl]-4-hydroxyimino-butanoic acid CAS Name: (4E)-4-[4-[[(4-chloro-3-nitrophenyl)-oxomethyl]amino]phenyl]-4-hydroxyiminobutanoic acid IUPAC Name: (4E)-4-[4-[(4-chloro-3-nitrobenzoyl)amino]phenyl]-4-hydroxyiminobutanoic acid Traditional Name: (4E)-4-[4-[(4-chloro-3-nitro-benzoyl)amino]phenyl]-4-hydroximino-butyric acid Formula: C17H14ClN3O6 MolecularWeight: 391.76256

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=NO)CCC(=O)O)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1/C(=N/O)/CCC(=O)O)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H14ClN3O6/c18-13-6-3-11(9-15(13)21(26)27)17(24)19-12-4-1-10(2-5-12)14(20-25)7-8-16(22)23/h1-6,9,25H,7-8H2,(H,19,24)(H,22,23)/b20-14+