(E)-3-ethoxycarbonyl-4-(3-nitrophenyl)but-3-enoic acid

Systemtic Name: (E)-3-ethoxycarbonyl-4-(3-nitrophenyl)but-3-enoic acid Openeye Name: (E)-3-ethoxycarbonyl-4-(3-nitrophenyl)but-3-enoic acid CAS Name: (E)-3-ethoxycarbonyl-4-(3-nitrophenyl)-3-butenoic acid IUPAC Name: (E)-3-ethoxycarbonyl-4-(3-nitrophenyl)but-3-enoic acid Traditional Name: (E)-3-carbethoxy-4-(3-nitrophenyl)but-3-enoic acid Formula: C13H13NO6 MolecularWeight: 279.24542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13NO6/c1-2-20-13(17)10(8-12(15)16)6-9-4-3-5-11(7-9)14(18)19/h3-7H,2,8H2,1H3,(H,15,16)/b10-6+