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

Systemtic Name: ethyl 5-azanyl-3-[(5-chloranyl-2-nitro-phenyl)carbonyloxymethyl]-4-cyano-thiophene-2-carboxylate Openeye Name: ethyl 5-amino-3-[(5-chloro-2-nitro-benzoyl)oxymethyl]-4-cyano-thiophene-2-carboxylate CAS Name: 5-amino-3-[[(5-chloro-2-nitrophenyl)-oxomethoxy]methyl]-4-cyano-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-3-[(5-chloro-2-nitrobenzoyl)oxymethyl]-4-cyanothiophene-2-carboxylate Traditional Name: 5-amino-3-[(5-chloro-2-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=CC(=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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