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

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[[4-(methylamino)-3-nitro-phenyl]carbonyloxymethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[4-(methylamino)-3-nitro-benzoyl]oxymethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[[4-(methylamino)-3-nitrophenyl]-oxomethoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[4-(methylamino)-3-nitrobenzoyl]oxymethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[4-(methylamino)-3-nitro-benzoyl]oxymethyl]thiophene-2-carboxylic acid ethyl ester Formula: C17H16N4O6S MolecularWeight: 404.39714

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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)NC)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H16N4O6S/c1-3-26-17(23)14-11(10(7-18)15(19)28-14)8-27-16(22)9-4-5-12(20-2)13(6-9)21(24)25/h4-6,20H,3,8,19H2,1-2H3