[2-[(4-iodophenyl)amino]-2-oxidanylidene-ethyl] 3-nitro-4-phenylsulfanyl-benzoate

Systemtic Name: [2-[(4-iodophenyl)amino]-2-oxidanylidene-ethyl] 3-nitro-4-phenylsulfanyl-benzoate Openeye Name: [2-(4-iodoanilino)-2-oxo-ethyl] 3-nitro-4-phenylsulfanyl-benzoate CAS Name: 3-nitro-4-(phenylthio)benzoic acid [2-(4-iodoanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-iodoanilino)-2-oxoethyl] 3-nitro-4-phenylsulfanylbenzoate Traditional Name: 3-nitro-4-(phenylthio)benzoic acid [2-(4-iodoanilino)-2-keto-ethyl] ester Formula: C21H15IN2O5S MolecularWeight: 534.32367

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)OCC(=O)NC3=CC=C(C=C3)I)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)OCC(=O)NC3=CC=C(C=C3)I)[N+](=O)[O-]

InChI

InChI=1S/C21H15IN2O5S/c22-15-7-9-16(10-8-15)23-20(25)13-29-21(26)14-6-11-19(18(12-14)24(27)28)30-17-4-2-1-3-5-17/h1-12H,13H2,(H,23,25)