4-bromanyl-2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)iminomethyl]-6-nitro-phenolate

Systemtic Name: 4-bromanyl-2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)iminomethyl]-6-nitro-phenolate Openeye Name: 4-bromo-2-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)iminomethyl]-6-nitro-phenolate CAS Name: 4-bromo-2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)iminomethyl]-6-nitrophenolate IUPAC Name: 4-bromo-2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)iminomethyl]-6-nitrophenolate Traditional Name: 4-bromo-2-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)iminomethyl]-6-nitro-phenolate Formula: C16H11BrN3O3S- MolecularWeight: 405.24584

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)N=CC3=CC(=CC(=C3[O-])[N+](=O)[O-])Br)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)N=CC3=CC(=CC(=C3[O-])[N+](=O)[O-])Br)C#N

InChI

InChI=1S/C16H12BrN3O3S/c17-10-5-9(15(21)13(6-10)20(22)23)8-19-16-12(7-18)11-3-1-2-4-14(11)24-16/h5-6,8,21H,1-4H2/p-1