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

Systemtic Name: (E)-4-(3-nitrophenyl)-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-(3-nitrophenyl)-4-oxo-but-2-enoic acid CAS Name: (E)-4-(3-nitrophenyl)-4-oxo-2-butenoic acid IUPAC Name: (E)-4-(3-nitrophenyl)-4-oxobut-2-enoic acid Traditional Name: (E)-4-keto-4-(3-nitrophenyl)but-2-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(=O)C=CC(=O)O

Isomeric SMILES

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

InChI

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