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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1O)[N+](=O)[O-])OCC=CC2=CC=CC(=C2)C3=CC(=NO3)C(=O)O

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1O)[N+](=O)[O-])OC/C=C/C2=CC=CC(=C2)C3=CC(=NO3)C(=O)O

InChI

InChI=1S/C21H16N2O9/c1-30-21(27)18-16(8-7-15(19(18)24)23(28)29)31-9-3-5-12-4-2-6-13(10-12)17-11-14(20(25)26)22-32-17/h2-8,10-11,24H,9H2,1H3,(H,25,26)/b5-3+