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

Systemtic Name: 2-bromanyl-6-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)iminomethyl]-4-nitro-phenolate Openeye Name: 2-bromo-6-[(3-ethoxycarbonyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)iminomethyl]-4-nitro-phenolate CAS Name: 2-bromo-6-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)iminomethyl]-4-nitrophenolate IUPAC Name: 2-bromo-6-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)iminomethyl]-4-nitrophenolate Traditional Name: 2-bromo-6-[(3-carbethoxy-4,5,6,7-tetrahydrobenzothiophen-2-yl)iminomethyl]-4-nitro-phenolate Formula: C18H16BrN2O5S- MolecularWeight: 452.29904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17BrN2O5S/c1-2-26-18(23)15-12-5-3-4-6-14(12)27-17(15)20-9-10-7-11(21(24)25)8-13(19)16(10)22/h7-9,22H,2-6H2,1H3/p-1