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

Systemtic Name: 2-[[[4-(1,3-dithian-2-yl)phenyl]carbonylamino]methyl]-4-nitro-phenolate Openeye Name: 2-[[[4-(1,3-dithian-2-yl)benzoyl]amino]methyl]-4-nitro-phenolate CAS Name: 2-[[[[4-(1,3-dithian-2-yl)phenyl]-oxomethyl]amino]methyl]-4-nitrophenolate IUPAC Name: 2-[[[4-(1,3-dithian-2-yl)benzoyl]amino]methyl]-4-nitrophenolate Traditional Name: 2-[[[4-(1,3-dithian-2-yl)benzoyl]amino]methyl]-4-nitro-phenolate Formula: C18H17N2O4S2- MolecularWeight: 389.46858

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(SC1)C2=CC=C(C=C2)C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

C1CSC(SC1)C2=CC=C(C=C2)C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])[O-]

InChI

InChI=1S/C18H18N2O4S2/c21-16-7-6-15(20(23)24)10-14(16)11-19-17(22)12-2-4-13(5-3-12)18-25-8-1-9-26-18/h2-7,10,18,21H,1,8-9,11H2,(H,19,22)/p-1