(4-aminocarbonyl-2-nitro-phenyl)methyl 3-[1,1-bis(oxidanylidene)-1,2-thiazolidin-2-yl]benzoate

Systemtic Name: (4-aminocarbonyl-2-nitro-phenyl)methyl 3-[1,1-bis(oxidanylidene)-1,2-thiazolidin-2-yl]benzoate Openeye Name: (4-carbamoyl-2-nitro-phenyl)methyl 3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate CAS Name: 3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoic acid (4-carbamoyl-2-nitrophenyl)methyl ester IUPAC Name: (4-carbamoyl-2-nitrophenyl)methyl 3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate Traditional Name: 3-(1,1-diketo-1,2-thiazolidin-2-yl)benzoic acid (4-carbamoyl-2-nitro-benzyl) ester Formula: C18H17N3O7S MolecularWeight: 419.40848

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(S(=O)(=O)C1)C2=CC=CC(=C2)C(=O)OCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1CN(S(=O)(=O)C1)C2=CC=CC(=C2)C(=O)OCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O7S/c19-17(22)12-5-6-14(16(10-12)21(24)25)11-28-18(23)13-3-1-4-15(9-13)20-7-2-8-29(20,26)27/h1,3-6,9-10H,2,7-8,11H2,(H2,19,22)