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

Systemtic Name: 5-[3-[(E)-3-(2-nitro-3-oxidanyl-phenoxy)prop-1-enyl]phenyl]-1,2-oxazole-3-carboxylic acid Openeye Name: 5-[3-[(E)-3-(3-hydroxy-2-nitro-phenoxy)prop-1-enyl]phenyl]isoxazole-3-carboxylic acid CAS Name: 5-[3-[(E)-3-(3-hydroxy-2-nitrophenoxy)prop-1-enyl]phenyl]-3-isoxazolecarboxylic acid IUPAC Name: 5-[3-[(E)-3-(3-hydroxy-2-nitrophenoxy)prop-1-enyl]phenyl]-1,2-oxazole-3-carboxylic acid Traditional Name: 5-[3-[(E)-3-(3-hydroxy-2-nitro-phenoxy)prop-1-enyl]phenyl]isoxazole-3-carboxylic acid Formula: C19H14N2O7 MolecularWeight: 382.32366

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C=CCOC2=CC=CC(=C2[N+](=O)[O-])O)C3=CC(=NO3)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)/C=C/COC2=CC=CC(=C2[N+](=O)[O-])O)C3=CC(=NO3)C(=O)O

InChI

InChI=1S/C19H14N2O7/c22-15-7-2-8-16(18(15)21(25)26)27-9-3-5-12-4-1-6-13(10-12)17-11-14(19(23)24)20-28-17/h1-8,10-11,22H,9H2,(H,23,24)/b5-3+