(E)-4-(nitromethyl)-3-oxidanylidene-5-phenyl-pent-4-enoic acid

Systemtic Name: (E)-4-(nitromethyl)-3-oxidanylidene-5-phenyl-pent-4-enoic acid Openeye Name: (E)-4-(nitromethyl)-3-oxo-5-phenyl-pent-4-enoic acid CAS Name: (E)-4-(nitromethyl)-3-oxo-5-phenyl-4-pentenoic acid IUPAC Name: (E)-4-(nitromethyl)-3-oxo-5-phenylpent-4-enoic acid Traditional Name: (E)-3-keto-4-(nitromethyl)-5-phenyl-pent-4-enoic acid Formula: C12H11NO5 MolecularWeight: 249.21944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11NO5/c14-11(7-12(15)16)10(8-13(17)18)6-9-4-2-1-3-5-9/h1-6H,7-8H2,(H,15,16)/b10-6+