[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-1-phenyl-ethyl] 5-nitrothiophene-2-carboxylate

Systemtic Name: [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-1-phenyl-ethyl] 5-nitrothiophene-2-carboxylate Openeye Name: [2-[(5-methylisoxazol-3-yl)amino]-2-oxo-1-phenyl-ethyl] 5-nitrothiophene-2-carboxylate CAS Name: 5-nitro-2-thiophenecarboxylic acid [2-[(5-methyl-3-isoxazolyl)amino]-2-oxo-1-phenylethyl] ester IUPAC Name: [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 5-nitrothiophene-2-carboxylate Traditional Name: 5-nitrothiophene-2-carboxylic acid [2-keto-2-[(5-methylisoxazol-3-yl)amino]-1-phenyl-ethyl] ester Formula: C17H13N3O6S MolecularWeight: 387.36662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CC=C(S3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NO1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CC=C(S3)[N+](=O)[O-]

InChI

InChI=1S/C17H13N3O6S/c1-10-9-13(19-26-10)18-16(21)15(11-5-3-2-4-6-11)25-17(22)12-7-8-14(27-12)20(23)24/h2-9,15H,1H3,(H,18,19,21)