[2-[[2,6-bis(chloranyl)-3-methyl-phenyl]amino]-2-oxidanylidene-ethyl] 5-nitrothiophene-2-carboxylate

Systemtic Name: [2-[[2,6-bis(chloranyl)-3-methyl-phenyl]amino]-2-oxidanylidene-ethyl] 5-nitrothiophene-2-carboxylate Openeye Name: [2-(2,6-dichloro-3-methyl-anilino)-2-oxo-ethyl] 5-nitrothiophene-2-carboxylate CAS Name: 5-nitro-2-thiophenecarboxylic acid [2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] 5-nitrothiophene-2-carboxylate Traditional Name: 5-nitrothiophene-2-carboxylic acid [2-(2,6-dichloro-3-methyl-anilino)-2-keto-ethyl] ester Formula: C14H10Cl2N2O5S MolecularWeight: 389.2106

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H10Cl2N2O5S/c1-7-2-3-8(15)13(12(7)16)17-10(19)6-23-14(20)9-4-5-11(24-9)18(21)22/h2-5H,6H2,1H3,(H,17,19)