5-[3-[(E)-3-(2-methoxycarbonyl-3-oxidanyl-phenoxy)prop-1-enyl]-4-nitro-phenyl]-1,2-oxazole-3-carboxylic acid

Systemtic Name: 5-[3-[(E)-3-(2-methoxycarbonyl-3-oxidanyl-phenoxy)prop-1-enyl]-4-nitro-phenyl]-1,2-oxazole-3-carboxylic acid Openeye Name: 5-[3-[(E)-3-(3-hydroxy-2-methoxycarbonyl-phenoxy)prop-1-enyl]-4-nitro-phenyl]isoxazole-3-carboxylic acid CAS Name: 5-[3-[(E)-3-(3-hydroxy-2-methoxycarbonylphenoxy)prop-1-enyl]-4-nitrophenyl]-3-isoxazolecarboxylic acid IUPAC Name: 5-[3-[(E)-3-(3-hydroxy-2-methoxycarbonylphenoxy)prop-1-enyl]-4-nitrophenyl]-1,2-oxazole-3-carboxylic acid Traditional Name: 5-[3-[(E)-3-(2-carbomethoxy-3-hydroxy-phenoxy)prop-1-enyl]-4-nitro-phenyl]isoxazole-3-carboxylic acid Formula: C21H16N2O9 MolecularWeight: 440.35974

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC=C1OCC=CC2=C(C=CC(=C2)C3=CC(=NO3)C(=O)O)[N+](=O)[O-])O

Isomeric SMILES

COC(=O)C1=C(C=CC=C1OC/C=C/C2=C(C=CC(=C2)C3=CC(=NO3)C(=O)O)[N+](=O)[O-])O

InChI

InChI=1S/C21H16N2O9/c1-30-21(27)19-16(24)5-2-6-17(19)31-9-3-4-12-10-13(7-8-15(12)23(28)29)18-11-14(20(25)26)22-32-18/h2-8,10-11,24H,9H2,1H3,(H,25,26)/b4-3+