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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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