ethyl 2-[(4-chloranyl-2-nitro-1-benzothiophen-3-yl)amino]-2-oxidanylidene-ethanoate

Systemtic Name: ethyl 2-[(4-chloranyl-2-nitro-1-benzothiophen-3-yl)amino]-2-oxidanylidene-ethanoate Openeye Name: ethyl 2-[(4-chloro-2-nitro-benzothiophen-3-yl)amino]-2-oxo-acetate CAS Name: 2-[(4-chloro-2-nitro-1-benzothiophen-3-yl)amino]-2-oxoacetic acid ethyl ester IUPAC Name: ethyl 2-[(4-chloro-2-nitro-1-benzothiophen-3-yl)amino]-2-oxoacetate Traditional Name: 2-[(4-chloro-2-nitro-benzothiophen-3-yl)amino]-2-keto-acetic acid ethyl ester Formula: C12H9ClN2O5S MolecularWeight: 328.72826

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=O)NC1=C(SC2=C1C(=CC=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C(=O)NC1=C(SC2=C1C(=CC=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C12H9ClN2O5S/c1-2-20-12(17)10(16)14-9-8-6(13)4-3-5-7(8)21-11(9)15(18)19/h3-5H,2H2,1H3,(H,14,16)