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

Systemtic Name: [1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(1,3-dithiolan-2-yl)benzoate Openeye Name: [1-methyl-2-(3-nitroanilino)-2-oxo-ethyl] 4-(1,3-dithiolan-2-yl)benzoate CAS Name: 4-(1,3-dithiolan-2-yl)benzoic acid [1-(3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-nitroanilino)-1-oxopropan-2-yl] 4-(1,3-dithiolan-2-yl)benzoate Traditional Name: 4-(1,3-dithiolan-2-yl)benzoic acid [2-keto-1-methyl-2-(3-nitroanilino)ethyl] ester Formula: C19H18N2O5S2 MolecularWeight: 418.48662

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C2=CC=C(C=C2)C3SCCS3

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C2=CC=C(C=C2)C3SCCS3

InChI

InChI=1S/C19H18N2O5S2/c1-12(17(22)20-15-3-2-4-16(11-15)21(24)25)26-18(23)13-5-7-14(8-6-13)19-27-9-10-28-19/h2-8,11-12,19H,9-10H2,1H3,(H,20,22)