2-[(E)-2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]benzoic acid

Systemtic Name: 2-[(E)-2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]benzoic acid Openeye Name: 2-[(E)-2-(3-methyl-4-nitro-isoxazol-5-yl)vinyl]benzoic acid CAS Name: 2-[(E)-2-(3-methyl-4-nitro-5-isoxazolyl)ethenyl]benzoic acid IUPAC Name: 2-[(E)-2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]benzoic acid Traditional Name: 2-[(E)-2-(3-methyl-4-nitro-isoxazol-5-yl)vinyl]benzoic acid Formula: C13H10N2O5 MolecularWeight: 274.2289

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1[N+](=O)[O-])C=CC2=CC=CC=C2C(=O)O

Isomeric SMILES

CC1=NOC(=C1[N+](=O)[O-])/C=C/C2=CC=CC=C2C(=O)O

InChI

InChI=1S/C13H10N2O5/c1-8-12(15(18)19)11(20-14-8)7-6-9-4-2-3-5-10(9)13(16)17/h2-7H,1H3,(H,16,17)/b7-6+