ethyl 2-[2-(5-nitro-2-oxidanylidene-pyridin-1-yl)ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(5-nitro-2-oxidanylidene-pyridin-1-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(5-nitro-2-oxo-1-pyridyl)acetyl]amino]thiophene-3-carboxylate CAS Name: 2-[[2-(5-nitro-2-oxo-1-pyridinyl)-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(5-nitro-2-oxopyridin-1-yl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[2-(2-keto-5-nitro-1-pyridyl)acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C14H13N3O6S MolecularWeight: 351.33452

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1)NC(=O)CN2C=C(C=CC2=O)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC=C1)NC(=O)CN2C=C(C=CC2=O)[N+](=O)[O-]

InChI

InChI=1S/C14H13N3O6S/c1-2-23-14(20)10-5-6-24-13(10)15-11(18)8-16-7-9(17(21)22)3-4-12(16)19/h3-7H,2,8H2,1H3,(H,15,18)