(Z)-4-[3-[(3,5-dinitro-2-oxidanyl-phenyl)carbonylamino]phenyl]-4-oxidanyl-2-oxidanylidene-but-3-enoic acid

Systemtic Name: (Z)-4-[3-[(3,5-dinitro-2-oxidanyl-phenyl)carbonylamino]phenyl]-4-oxidanyl-2-oxidanylidene-but-3-enoic acid Openeye Name: (Z)-4-hydroxy-4-[3-[(2-hydroxy-3,5-dinitro-benzoyl)amino]phenyl]-2-oxo-but-3-enoic acid CAS Name: (Z)-4-hydroxy-4-[3-[[(2-hydroxy-3,5-dinitrophenyl)-oxomethyl]amino]phenyl]-2-oxo-3-butenoic acid IUPAC Name: (Z)-4-hydroxy-4-[3-[(2-hydroxy-3,5-dinitrobenzoyl)amino]phenyl]-2-oxobut-3-enoic acid Traditional Name: (Z)-4-hydroxy-4-[3-[(2-hydroxy-3,5-dinitro-benzoyl)amino]phenyl]-2-keto-but-3-enoic acid Formula: C17H11N3O10 MolecularWeight: 417.28334

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)C2=CC(=CC(=C2O)[N+](=O)[O-])[N+](=O)[O-])C(=CC(=O)C(=O)O)O

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)C2=CC(=CC(=C2O)[N+](=O)[O-])[N+](=O)[O-])/C(=C/C(=O)C(=O)O)/O

InChI

InChI=1S/C17H11N3O10/c21-13(7-14(22)17(25)26)8-2-1-3-9(4-8)18-16(24)11-5-10(19(27)28)6-12(15(11)23)20(29)30/h1-7,21,23H,(H,18,24)(H,25,26)/b13-7-