5-methyl-4-[(E)-C-methyl-N-[(4-nitrophenyl)amino]carbonimidoyl]-1,2-oxazole-3-carboxylic acid

Systemtic Name: 5-methyl-4-[(E)-C-methyl-N-[(4-nitrophenyl)amino]carbonimidoyl]-1,2-oxazole-3-carboxylic acid Openeye Name: 5-methyl-4-[(E)-C-methyl-N-(4-nitroanilino)carbonimidoyl]isoxazole-3-carboxylic acid CAS Name: 5-methyl-4-[(1E)-1-[(4-nitrophenyl)hydrazinylidene]ethyl]-3-isoxazolecarboxylic acid IUPAC Name: 5-methyl-4-[(E)-C-methyl-N-(4-nitroanilino)carbonimidoyl]-1,2-oxazole-3-carboxylic acid Traditional Name: 5-methyl-4-[(E)-C-methyl-N-(4-nitroanilino)carbonimidoyl]isoxazole-3-carboxylic acid Formula: C13H12N4O5 MolecularWeight: 304.25818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C(=O)O)C(=NNC2=CC=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C(=NO1)C(=O)O)/C(=N/NC2=CC=C(C=C2)[N+](=O)[O-])/C

InChI

InChI=1S/C13H12N4O5/c1-7(11-8(2)22-16-12(11)13(18)19)14-15-9-3-5-10(6-4-9)17(20)21/h3-6,15H,1-2H3,(H,18,19)/b14-7+