[4-[(4-nitrophenyl)carbonylamino]-1,1-bis(oxidanylidene)thiolan-3-yl] 4-nitrobenzoate

Systemtic Name: [4-[(4-nitrophenyl)carbonylamino]-1,1-bis(oxidanylidene)thiolan-3-yl] 4-nitrobenzoate Openeye Name: [4-[(4-nitrobenzoyl)amino]-1,1-dioxo-thiolan-3-yl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [4-[[(4-nitrophenyl)-oxomethyl]amino]-1,1-dioxo-3-thiolanyl] ester IUPAC Name: [4-[(4-nitrobenzoyl)amino]-1,1-dioxothiolan-3-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [1,1-diketo-4-[(4-nitrobenzoyl)amino]thiolan-3-yl] ester Formula: C18H15N3O9S MolecularWeight: 449.3914

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(CS1(=O)=O)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1C(C(CS1(=O)=O)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H15N3O9S/c22-17(11-1-5-13(6-2-11)20(24)25)19-15-9-31(28,29)10-16(15)30-18(23)12-3-7-14(8-4-12)21(26)27/h1-8,15-16H,9-10H2,(H,19,22)