2-[[[3,6-bis(chloranyl)-1-benzothiophen-2-yl]carbonylamino]methyl]-4-nitro-phenolate

Systemtic Name: 2-[[[3,6-bis(chloranyl)-1-benzothiophen-2-yl]carbonylamino]methyl]-4-nitro-phenolate Openeye Name: 2-[[(3,6-dichlorobenzothiophene-2-carbonyl)amino]methyl]-4-nitro-phenolate CAS Name: 2-[[[(3,6-dichloro-1-benzothiophen-2-yl)-oxomethyl]amino]methyl]-4-nitrophenolate IUPAC Name: 2-[[(3,6-dichloro-1-benzothiophene-2-carbonyl)amino]methyl]-4-nitrophenolate Traditional Name: 2-[[(3,6-dichlorobenzothiophene-2-carbonyl)amino]methyl]-4-nitro-phenolate Formula: C16H9Cl2N2O4S- MolecularWeight: 396.22466

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])CNC(=O)C2=C(C3=C(S2)C=C(C=C3)Cl)Cl)[O-]

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])CNC(=O)C2=C(C3=C(S2)C=C(C=C3)Cl)Cl)[O-]

InChI

InChI=1S/C16H10Cl2N2O4S/c17-9-1-3-11-13(6-9)25-15(14(11)18)16(22)19-7-8-5-10(20(23)24)2-4-12(8)21/h1-6,21H,7H2,(H,19,22)/p-1