[2-[(2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 5-chloranylthiophene-2-carboxylate

Systemtic Name: [2-[(2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 5-chloranylthiophene-2-carboxylate Openeye Name: [2-(2-methyl-4-nitro-anilino)-2-oxo-ethyl] 5-chlorothiophene-2-carboxylate CAS Name: 5-chloro-2-thiophenecarboxylic acid [2-(2-methyl-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-4-nitroanilino)-2-oxoethyl] 5-chlorothiophene-2-carboxylate Traditional Name: 5-chlorothiophene-2-carboxylic acid [2-keto-2-(2-methyl-4-nitro-anilino)ethyl] ester Formula: C14H11ClN2O5S MolecularWeight: 354.76554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)COC(=O)C2=CC=C(S2)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)COC(=O)C2=CC=C(S2)Cl

InChI

InChI=1S/C14H11ClN2O5S/c1-8-6-9(17(20)21)2-3-10(8)16-13(18)7-22-14(19)11-4-5-12(15)23-11/h2-6H,7H2,1H3,(H,16,18)