[2-(3-nitrophenyl)carbonylsulfanyl-1,3-thiazol-4-yl] 3-nitrobenzoate

Systemtic Name: [2-(3-nitrophenyl)carbonylsulfanyl-1,3-thiazol-4-yl] 3-nitrobenzoate Openeye Name: [2-(3-nitrobenzoyl)sulfanylthiazol-4-yl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2-[[(3-nitrophenyl)-oxomethyl]thio]-4-thiazolyl] ester IUPAC Name: [2-(3-nitrobenzoyl)sulfanyl-1,3-thiazol-4-yl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [2-[(3-nitrobenzoyl)thio]thiazol-4-yl] ester Formula: C17H9N3O7S2 MolecularWeight: 431.39926

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC2=CSC(=N2)SC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC2=CSC(=N2)SC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H9N3O7S2/c21-15(10-3-1-5-12(7-10)19(23)24)27-14-9-28-17(18-14)29-16(22)11-4-2-6-13(8-11)20(25)26/h1-9H