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

Systemtic Name: 2-[(3-methoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)iminomethyl]-6-nitro-phenolate Openeye Name: 2-[(3-methoxycarbonyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)iminomethyl]-6-nitro-phenolate CAS Name: 2-[(3-methoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)iminomethyl]-6-nitrophenolate IUPAC Name: 2-[(3-methoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)iminomethyl]-6-nitrophenolate Traditional Name: 2-[(3-carbomethoxy-4,5,6,7-tetrahydrobenzothiophen-2-yl)iminomethyl]-6-nitro-phenolate Formula: C17H15N2O5S- MolecularWeight: 359.3764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O5S/c1-24-17(21)14-11-6-2-3-8-13(11)25-16(14)18-9-10-5-4-7-12(15(10)20)19(22)23/h4-5,7,9,20H,2-3,6,8H2,1H3/p-1