[2-[[2,5-bis(chloranyl)phenyl]amino]-2-oxidanylidene-ethyl] 5-nitro-1-benzothiophene-2-carboxylate

Systemtic Name: [2-[[2,5-bis(chloranyl)phenyl]amino]-2-oxidanylidene-ethyl] 5-nitro-1-benzothiophene-2-carboxylate Openeye Name: [2-(2,5-dichloroanilino)-2-oxo-ethyl] 5-nitrobenzothiophene-2-carboxylate CAS Name: 5-nitro-1-benzothiophene-2-carboxylic acid [2-(2,5-dichloroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dichloroanilino)-2-oxoethyl] 5-nitro-1-benzothiophene-2-carboxylate Traditional Name: 5-nitrobenzothiophene-2-carboxylic acid [2-(2,5-dichloroanilino)-2-keto-ethyl] ester Formula: C17H10Cl2N2O5S MolecularWeight: 425.2427

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])C=C(S2)C(=O)OCC(=O)NC3=C(C=CC(=C3)Cl)Cl

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])C=C(S2)C(=O)OCC(=O)NC3=C(C=CC(=C3)Cl)Cl

InChI

InChI=1S/C17H10Cl2N2O5S/c18-10-1-3-12(19)13(7-10)20-16(22)8-26-17(23)15-6-9-5-11(21(24)25)2-4-14(9)27-15/h1-7H,8H2,(H,20,22)