O-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl] N-(3-nitrophenyl)carbamothioate

Systemtic Name: O-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl] N-(3-nitrophenyl)carbamothioate Openeye Name: O-[2-(1,3-dioxoisoindolin-2-yl)ethyl] N-(3-nitrophenyl)carbamothioate CAS Name: N-(3-nitrophenyl)carbamothioic acid O-[2-(1,3-dioxo-2-isoindolyl)ethyl] ester IUPAC Name: O-[2-(1,3-dioxoisoindol-2-yl)ethyl] N-(3-nitrophenyl)carbamothioate Traditional Name: N-(3-nitrophenyl)thiocarbamic acid O-(2-phthalimidoethyl) ester Formula: C17H13N3O5S MolecularWeight: 371.36722

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCOC(=S)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCOC(=S)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H13N3O5S/c21-15-13-6-1-2-7-14(13)16(22)19(15)8-9-25-17(26)18-11-4-3-5-12(10-11)20(23)24/h1-7,10H,8-9H2,(H,18,26)