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

Systemtic Name: [2-[(2-methoxy-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 5-methyl-4-propyl-thiophene-2-carboxylate Openeye Name: [2-(2-methoxy-5-nitro-anilino)-2-oxo-ethyl] 5-methyl-4-propyl-thiophene-2-carboxylate CAS Name: 5-methyl-4-propyl-2-thiophenecarboxylic acid [2-(2-methoxy-5-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methoxy-5-nitroanilino)-2-oxoethyl] 5-methyl-4-propylthiophene-2-carboxylate Traditional Name: 5-methyl-4-propyl-thiophene-2-carboxylic acid [2-keto-2-(2-methoxy-5-nitro-anilino)ethyl] ester Formula: C18H20N2O6S MolecularWeight: 392.4262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O6S/c1-4-5-12-8-16(27-11(12)2)18(22)26-10-17(21)19-14-9-13(20(23)24)6-7-15(14)25-3/h6-9H,4-5,10H2,1-3H3,(H,19,21)