[2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl] 3,6-bis(chloranyl)-1-benzothiophene-2-carboxylate

Systemtic Name: [2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl] 3,6-bis(chloranyl)-1-benzothiophene-2-carboxylate Openeye Name: [2-(4-nitroanilino)-2-oxo-ethyl] 3,6-dichlorobenzothiophene-2-carboxylate CAS Name: 3,6-dichloro-1-benzothiophene-2-carboxylic acid [2-(4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-nitroanilino)-2-oxoethyl] 3,6-dichloro-1-benzothiophene-2-carboxylate Traditional Name: 3,6-dichlorobenzothiophene-2-carboxylic acid [2-keto-2-(4-nitroanilino)ethyl] ester Formula: C17H10Cl2N2O5S MolecularWeight: 425.2427

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)COC(=O)C2=C(C3=C(S2)C=C(C=C3)Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1NC(=O)COC(=O)C2=C(C3=C(S2)C=C(C=C3)Cl)Cl)[N+](=O)[O-]

InChI

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