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

Systemtic Name: 4-[(E)-N-[(2,4-dinitrophenyl)amino]-C-methyl-carbonimidoyl]-5-methyl-1,2-oxazole-3-carboxylic acid Openeye Name: 4-[(E)-N-(2,4-dinitroanilino)-C-methyl-carbonimidoyl]-5-methyl-isoxazole-3-carboxylic acid CAS Name: 4-[(1E)-1-[(2,4-dinitrophenyl)hydrazinylidene]ethyl]-5-methyl-3-isoxazolecarboxylic acid IUPAC Name: 4-[(E)-N-(2,4-dinitroanilino)-C-methylcarbonimidoyl]-5-methyl-1,2-oxazole-3-carboxylic acid Traditional Name: 4-[(E)-N-(2,4-dinitroanilino)-C-methyl-carbonimidoyl]-5-methyl-isoxazole-3-carboxylic acid Formula: C13H11N5O7 MolecularWeight: 349.25574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11N5O7/c1-6(11-7(2)25-16-12(11)13(19)20)14-15-9-4-3-8(17(21)22)5-10(9)18(23)24/h3-5,15H,1-2H3,(H,19,20)/b14-6+