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

Systemtic Name: 4-[[(E)-2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]amino]benzoate Openeye Name: 4-[[(E)-2-(3-methyl-4-nitro-isoxazol-5-yl)vinyl]amino]benzoate CAS Name: 4-[[(E)-2-(3-methyl-4-nitro-5-isoxazolyl)ethenyl]amino]benzoate IUPAC Name: 4-[[(E)-2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]amino]benzoate Traditional Name: 4-[[(E)-2-(3-methyl-4-nitro-isoxazol-5-yl)vinyl]amino]benzoate Formula: C13H10N3O5- MolecularWeight: 288.2356

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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)/p-1/b7-6+