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

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[(4-methoxy-3-nitro-phenyl)carbonyloxymethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[(4-methoxy-3-nitro-benzoyl)oxymethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[(4-methoxy-3-nitrophenyl)-oxomethoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[(4-methoxy-3-nitrobenzoyl)oxymethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[(4-methoxy-3-nitro-benzoyl)oxymethyl]thiophene-2-carboxylic acid ethyl ester Formula: C17H15N3O7S MolecularWeight: 405.3819

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N3O7S/c1-3-26-17(22)14-11(10(7-18)15(19)28-14)8-27-16(21)9-4-5-13(25-2)12(6-9)20(23)24/h4-6H,3,8,19H2,1-2H3