4-nitro-2-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylcarbonylamino)phenolate

Systemtic Name: 4-nitro-2-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylcarbonylamino)phenolate Openeye Name: 4-nitro-2-(4,5,6,7-tetrahydrobenzothiophene-3-carbonylamino)phenolate CAS Name: 4-nitro-2-[[oxo(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl]amino]phenolate IUPAC Name: 4-nitro-2-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonylamino)phenolate Traditional Name: 4-nitro-2-(4,5,6,7-tetrahydrobenzothiophene-3-carbonylamino)phenolate Formula: C15H13N2O4S- MolecularWeight: 317.33972

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=CS2)C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

C1CCC2=C(C1)C(=CS2)C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])[O-]

InChI

InChI=1S/C15H14N2O4S/c18-13-6-5-9(17(20)21)7-12(13)16-15(19)11-8-22-14-4-2-1-3-10(11)14/h5-8,18H,1-4H2,(H,16,19)/p-1