[2-[(3,5-dimethyl-4-oxidanyl-phenyl)methylamino]-2-oxidanylidene-ethyl] 5-nitrothiophene-2-carboxylate

Systemtic Name: [2-[(3,5-dimethyl-4-oxidanyl-phenyl)methylamino]-2-oxidanylidene-ethyl] 5-nitrothiophene-2-carboxylate Openeye Name: [2-[(4-hydroxy-3,5-dimethyl-phenyl)methylamino]-2-oxo-ethyl] 5-nitrothiophene-2-carboxylate CAS Name: 5-nitro-2-thiophenecarboxylic acid [2-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-2-oxoethyl] 5-nitrothiophene-2-carboxylate Traditional Name: 5-nitrothiophene-2-carboxylic acid [2-[(4-hydroxy-3,5-dimethyl-benzyl)amino]-2-keto-ethyl] ester Formula: C16H16N2O6S MolecularWeight: 364.37304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)C)CNC(=O)COC(=O)C2=CC=C(S2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1O)C)CNC(=O)COC(=O)C2=CC=C(S2)[N+](=O)[O-]

InChI

InChI=1S/C16H16N2O6S/c1-9-5-11(6-10(2)15(9)20)7-17-13(19)8-24-16(21)12-3-4-14(25-12)18(22)23/h3-6,20H,7-8H2,1-2H3,(H,17,19)