[2-[(4-chloranyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 5-nitrothiophene-2-carboxylate

Systemtic Name: [2-[(4-chloranyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 5-nitrothiophene-2-carboxylate Openeye Name: [2-(4-chloro-2-nitro-anilino)-2-oxo-ethyl] 5-nitrothiophene-2-carboxylate CAS Name: 5-nitro-2-thiophenecarboxylic acid [2-(4-chloro-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-chloro-2-nitroanilino)-2-oxoethyl] 5-nitrothiophene-2-carboxylate Traditional Name: 5-nitrothiophene-2-carboxylic acid [2-(4-chloro-2-nitro-anilino)-2-keto-ethyl] ester Formula: C13H8ClN3O7S MolecularWeight: 385.73652

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)[N+](=O)[O-])NC(=O)COC(=O)C2=CC=C(S2)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1Cl)[N+](=O)[O-])NC(=O)COC(=O)C2=CC=C(S2)[N+](=O)[O-]

InChI

InChI=1S/C13H8ClN3O7S/c14-7-1-2-8(9(5-7)16(20)21)15-11(18)6-24-13(19)10-3-4-12(25-10)17(22)23/h1-5H,6H2,(H,15,18)