(E)-2-methyl-5-(3-nitrophenyl)-3-oxidanylidene-pent-4-enoic acid

Systemtic Name: (E)-2-methyl-5-(3-nitrophenyl)-3-oxidanylidene-pent-4-enoic acid Openeye Name: (E)-2-methyl-5-(3-nitrophenyl)-3-oxo-pent-4-enoic acid CAS Name: (E)-2-methyl-5-(3-nitrophenyl)-3-oxo-4-pentenoic acid IUPAC Name: (E)-2-methyl-5-(3-nitrophenyl)-3-oxopent-4-enoic acid Traditional Name: (E)-3-keto-2-methyl-5-(3-nitrophenyl)pent-4-enoic acid Formula: C12H11NO5 MolecularWeight: 249.21944

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C=CC1=CC(=CC=C1)[N+](=O)[O-])C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C12H11NO5/c1-8(12(15)16)11(14)6-5-9-3-2-4-10(7-9)13(17)18/h2-8H,1H3,(H,15,16)/b6-5+