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

Systemtic Name: ethyl 5-azanyl-3-[[2-(4-chloranyl-3-nitro-phenyl)carbonylphenyl]carbonyloxymethyl]-4-cyano-thiophene-2-carboxylate Openeye Name: ethyl 5-amino-3-[[2-(4-chloro-3-nitro-benzoyl)benzoyl]oxymethyl]-4-cyano-thiophene-2-carboxylate CAS Name: 5-amino-3-[[[2-[(4-chloro-3-nitrophenyl)-oxomethyl]phenyl]-oxomethoxy]methyl]-4-cyano-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-3-[[2-(4-chloro-3-nitrobenzoyl)benzoyl]oxymethyl]-4-cyanothiophene-2-carboxylate Traditional Name: 5-amino-3-[[2-(4-chloro-3-nitro-benzoyl)benzoyl]oxymethyl]-4-cyano-thiophene-2-carboxylic acid ethyl ester Formula: C23H16ClN3O7S MolecularWeight: 513.90704

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C2=CC=CC=C2C(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C2=CC=CC=C2C(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C23H16ClN3O7S/c1-2-33-23(30)20-16(15(10-25)21(26)35-20)11-34-22(29)14-6-4-3-5-13(14)19(28)12-7-8-17(24)18(9-12)27(31)32/h3-9H,2,11,26H2,1H3