[2-[5-[(2,2-dimethylpropanoylamino)methyl]thiophen-2-yl]-2-oxidanylidene-ethyl] 3-nitrobenzoate

Systemtic Name: [2-[5-[(2,2-dimethylpropanoylamino)methyl]thiophen-2-yl]-2-oxidanylidene-ethyl] 3-nitrobenzoate Openeye Name: [2-[5-[(2,2-dimethylpropanoylamino)methyl]-2-thienyl]-2-oxo-ethyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2-[5-[[(2,2-dimethyl-1-oxopropyl)amino]methyl]-2-thiophenyl]-2-oxoethyl] ester IUPAC Name: [2-[5-[(2,2-dimethylpropanoylamino)methyl]thiophen-2-yl]-2-oxoethyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [2-keto-2-[5-[(pivaloylamino)methyl]-2-thienyl]ethyl] ester Formula: C19H20N2O6S MolecularWeight: 404.4369

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NCC1=CC=C(S1)C(=O)COC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C(=O)NCC1=CC=C(S1)C(=O)COC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H20N2O6S/c1-19(2,3)18(24)20-10-14-7-8-16(28-14)15(22)11-27-17(23)12-5-4-6-13(9-12)21(25)26/h4-9H,10-11H2,1-3H3,(H,20,24)