2-[[[4-(1,3-dithiolan-2-yl)phenyl]carbonylamino]methyl]-4-nitro-phenolate

Systemtic Name: 2-[[[4-(1,3-dithiolan-2-yl)phenyl]carbonylamino]methyl]-4-nitro-phenolate Openeye Name: 2-[[[4-(1,3-dithiolan-2-yl)benzoyl]amino]methyl]-4-nitro-phenolate CAS Name: 2-[[[[4-(1,3-dithiolan-2-yl)phenyl]-oxomethyl]amino]methyl]-4-nitrophenolate IUPAC Name: 2-[[[4-(1,3-dithiolan-2-yl)benzoyl]amino]methyl]-4-nitrophenolate Traditional Name: 2-[[[4-(1,3-dithiolan-2-yl)benzoyl]amino]methyl]-4-nitro-phenolate Formula: C17H15N2O4S2- MolecularWeight: 375.442

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(S1)C2=CC=C(C=C2)C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

C1CSC(S1)C2=CC=C(C=C2)C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])[O-]

InChI

InChI=1S/C17H16N2O4S2/c20-15-6-5-14(19(22)23)9-13(15)10-18-16(21)11-1-3-12(4-2-11)17-24-7-8-25-17/h1-6,9,17,20H,7-8,10H2,(H,18,21)/p-1