N,N-diethylnitramide; 4-methyl-2-phenyl-1,3-thiazole-5-carboxylic acid

Systemtic Name: N,N-diethylnitramide; 4-methyl-2-phenyl-1,3-thiazole-5-carboxylic acid Openeye Name: N,N-diethylnitramide; 4-methyl-2-phenyl-thiazole-5-carboxylic acid CAS Name: N,N-diethylnitramide; 4-methyl-2-phenyl-5-thiazolecarboxylic acid IUPAC Name: N,N-diethylnitramide; 4-methyl-2-phenyl-1,3-thiazole-5-carboxylic acid Traditional Name: N,N-diethylnitramide; 4-methyl-2-phenyl-thiazole-5-carboxylic acid Formula: C15H19N3O4S MolecularWeight: 337.39406

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)[N+](=O)[O-].CC1=C(SC(=N1)C2=CC=CC=C2)C(=O)O

Isomeric SMILES

CCN(CC)[N+](=O)[O-].CC1=C(SC(=N1)C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C11H9NO2S.C4H10N2O2/c1-7-9(11(13)14)15-10(12-7)8-5-3-2-4-6-8;1-3-5(4-2)6(7)8/h2-6H,1H3,(H,13,14);3-4H2,1-2H3