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

Systemtic Name: 4-bromanyl-2-[(3-methoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)iminomethyl]-6-nitro-phenolate Openeye Name: 4-bromo-2-[(3-methoxycarbonyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)iminomethyl]-6-nitro-phenolate CAS Name: 4-bromo-2-[(3-methoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)iminomethyl]-6-nitrophenolate IUPAC Name: 4-bromo-2-[(3-methoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)iminomethyl]-6-nitrophenolate Traditional Name: 4-bromo-2-[(3-carbomethoxy-4,5,6,7-tetrahydrobenzothiophen-2-yl)iminomethyl]-6-nitro-phenolate Formula: C17H14BrN2O5S- MolecularWeight: 438.27246

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCC2)N=CC3=CC(=CC(=C3[O-])[N+](=O)[O-])Br

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCC2)N=CC3=CC(=CC(=C3[O-])[N+](=O)[O-])Br

InChI

InChI=1S/C17H15BrN2O5S/c1-25-17(22)14-11-4-2-3-5-13(11)26-16(14)19-8-9-6-10(18)7-12(15(9)21)20(23)24/h6-8,21H,2-5H2,1H3/p-1