[2-[(4-chloranyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 5-methyl-4-propyl-thiophene-2-carboxylate

Systemtic Name: [2-[(4-chloranyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 5-methyl-4-propyl-thiophene-2-carboxylate Openeye Name: [2-(4-chloro-2-nitro-anilino)-2-oxo-ethyl] 5-methyl-4-propyl-thiophene-2-carboxylate CAS Name: 5-methyl-4-propyl-2-thiophenecarboxylic acid [2-(4-chloro-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-chloro-2-nitroanilino)-2-oxoethyl] 5-methyl-4-propylthiophene-2-carboxylate Traditional Name: 5-methyl-4-propyl-thiophene-2-carboxylic acid [2-(4-chloro-2-nitro-anilino)-2-keto-ethyl] ester Formula: C17H17ClN2O5S MolecularWeight: 396.84528

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(SC(=C1)C(=O)OCC(=O)NC2=C(C=C(C=C2)Cl)[N+](=O)[O-])C

Isomeric SMILES

CCCC1=C(SC(=C1)C(=O)OCC(=O)NC2=C(C=C(C=C2)Cl)[N+](=O)[O-])C

InChI

InChI=1S/C17H17ClN2O5S/c1-3-4-11-7-15(26-10(11)2)17(22)25-9-16(21)19-13-6-5-12(18)8-14(13)20(23)24/h5-8H,3-4,9H2,1-2H3,(H,19,21)