(E)-3-ethoxycarbonyl-4-(3-methoxy-5-nitro-4-oxidanyl-phenyl)but-3-enoic acid

Systemtic Name: (E)-3-ethoxycarbonyl-4-(3-methoxy-5-nitro-4-oxidanyl-phenyl)but-3-enoic acid Openeye Name: (E)-3-ethoxycarbonyl-4-(4-hydroxy-3-methoxy-5-nitro-phenyl)but-3-enoic acid CAS Name: (E)-3-ethoxycarbonyl-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-3-butenoic acid IUPAC Name: (E)-3-ethoxycarbonyl-4-(4-hydroxy-3-methoxy-5-nitrophenyl)but-3-enoic acid Traditional Name: (E)-3-carbethoxy-4-(4-hydroxy-3-methoxy-5-nitro-phenyl)but-3-enoic acid Formula: C14H15NO8 MolecularWeight: 325.2708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15NO8/c1-3-23-14(19)9(7-12(16)17)4-8-5-10(15(20)21)13(18)11(6-8)22-2/h4-6,18H,3,7H2,1-2H3,(H,16,17)/b9-4+