(E)-4-(3-nitrophenyl)-2-oxidanylidene-but-3-enoic acid

Systemtic Name: (E)-4-(3-nitrophenyl)-2-oxidanylidene-but-3-enoic acid Openeye Name: (E)-4-(3-nitrophenyl)-2-oxo-but-3-enoic acid CAS Name: (E)-4-(3-nitrophenyl)-2-oxo-3-butenoic acid IUPAC Name: (E)-4-(3-nitrophenyl)-2-oxobut-3-enoic acid Traditional Name: (E)-2-keto-4-(3-nitrophenyl)but-3-enoic acid Formula: C10H7NO5 MolecularWeight: 221.16628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H7NO5/c12-9(10(13)14)5-4-7-2-1-3-8(6-7)11(15)16/h1-6H,(H,13,14)/b5-4+