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

Systemtic Name: 4-[[(E)-2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]amino]benzoic acid Openeye Name: 4-[[(E)-2-(3-methyl-4-nitro-isoxazol-5-yl)vinyl]amino]benzoic acid CAS Name: 4-[[(E)-2-(3-methyl-4-nitro-5-isoxazolyl)ethenyl]amino]benzoic acid IUPAC Name: 4-[[(E)-2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]amino]benzoic acid Traditional Name: 4-[[(E)-2-(3-methyl-4-nitro-isoxazol-5-yl)vinyl]amino]benzoic acid Formula: C13H11N3O5 MolecularWeight: 289.24354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1[N+](=O)[O-])C=CNC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC1=NOC(=C1[N+](=O)[O-])/C=C/NC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C13H11N3O5/c1-8-12(16(19)20)11(21-15-8)6-7-14-10-4-2-9(3-5-10)13(17)18/h2-7,14H,1H3,(H,17,18)/b7-6+