[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl] 4-(1,3-dithiolan-2-yl)benzoate

Systemtic Name: [2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl] 4-(1,3-dithiolan-2-yl)benzoate Openeye Name: [2-(3-nitroanilino)-2-oxo-ethyl] 4-(1,3-dithiolan-2-yl)benzoate CAS Name: 4-(1,3-dithiolan-2-yl)benzoic acid [2-(3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-nitroanilino)-2-oxoethyl] 4-(1,3-dithiolan-2-yl)benzoate Traditional Name: 4-(1,3-dithiolan-2-yl)benzoic acid [2-keto-2-(3-nitroanilino)ethyl] ester Formula: C18H16N2O5S2 MolecularWeight: 404.46004

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(S1)C2=CC=C(C=C2)C(=O)OCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CSC(S1)C2=CC=C(C=C2)C(=O)OCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H16N2O5S2/c21-16(19-14-2-1-3-15(10-14)20(23)24)11-25-17(22)12-4-6-13(7-5-12)18-26-8-9-27-18/h1-7,10,18H,8-9,11H2,(H,19,21)