[1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl] 5-nitrothiophene-2-carboxylate

Systemtic Name: [1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl] 5-nitrothiophene-2-carboxylate Openeye Name: [2-(benzylamino)-1-methyl-2-oxo-ethyl] 5-nitrothiophene-2-carboxylate CAS Name: 5-nitro-2-thiophenecarboxylic acid [1-oxo-1-[(phenylmethyl)amino]propan-2-yl] ester IUPAC Name: [1-(benzylamino)-1-oxopropan-2-yl] 5-nitrothiophene-2-carboxylate Traditional Name: 5-nitrothiophene-2-carboxylic acid [2-(benzylamino)-2-keto-1-methyl-ethyl] ester Formula: C15H14N2O5S MolecularWeight: 334.34706

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1)OC(=O)C2=CC=C(S2)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NCC1=CC=CC=C1)OC(=O)C2=CC=C(S2)[N+](=O)[O-]

InChI

InChI=1S/C15H14N2O5S/c1-10(14(18)16-9-11-5-3-2-4-6-11)22-15(19)12-7-8-13(23-12)17(20)21/h2-8,10H,9H2,1H3,(H,16,18)