ethyl 5-azanyl-3-[(2-chloranyl-4-nitro-phenyl)carbonyloxymethyl]-4-cyano-thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-3-[(2-chloranyl-4-nitro-phenyl)carbonyloxymethyl]-4-cyano-thiophene-2-carboxylate Openeye Name: ethyl 5-amino-3-[(2-chloro-4-nitro-benzoyl)oxymethyl]-4-cyano-thiophene-2-carboxylate CAS Name: 5-amino-3-[[(2-chloro-4-nitrophenyl)-oxomethoxy]methyl]-4-cyano-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-3-[(2-chloro-4-nitrobenzoyl)oxymethyl]-4-cyanothiophene-2-carboxylate Traditional Name: 5-amino-3-[(2-chloro-4-nitro-benzoyl)oxymethyl]-4-cyano-thiophene-2-carboxylic acid ethyl ester Formula: C16H12ClN3O6S MolecularWeight: 409.80098

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H12ClN3O6S/c1-2-25-16(22)13-11(10(6-18)14(19)27-13)7-26-15(21)9-4-3-8(20(23)24)5-12(9)17/h3-5H,2,7,19H2,1H3