3-ethyl-3-(3-nitrophenyl)pent-4-enoic acid

Systemtic Name: 3-ethyl-3-(3-nitrophenyl)pent-4-enoic acid Openeye Name: 3-ethyl-3-(3-nitrophenyl)pent-4-enoic acid CAS Name: 3-ethyl-3-(3-nitrophenyl)-4-pentenoic acid IUPAC Name: 3-ethyl-3-(3-nitrophenyl)pent-4-enoic acid Traditional Name: 3-ethyl-3-(3-nitrophenyl)pent-4-enoic acid Formula: C13H15NO4 MolecularWeight: 249.2625

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO4/c1-3-13(4-2,9-12(15)16)10-6-5-7-11(8-10)14(17)18/h3,5-8H,1,4,9H2,2H3,(H,15,16)