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

Systemtic Name: 1-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)iminomethyl]-6-nitro-naphthalen-2-olate Openeye Name: 1-[(3-ethoxycarbonyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)iminomethyl]-6-nitro-naphthalen-2-olate CAS Name: 1-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)iminomethyl]-6-nitro-2-naphthalenolate IUPAC Name: 1-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)iminomethyl]-6-nitronaphthalen-2-olate Traditional Name: 1-[(3-carbethoxy-4,5,6,7-tetrahydrobenzothiophen-2-yl)iminomethyl]-6-nitro-naphthalen-2-olate Formula: C22H19N2O5S- MolecularWeight: 423.46166

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)N=CC3=C(C=CC4=C3C=CC(=C4)[N+](=O)[O-])[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)N=CC3=C(C=CC4=C3C=CC(=C4)[N+](=O)[O-])[O-]

InChI

InChI=1S/C22H20N2O5S/c1-2-29-22(26)20-16-5-3-4-6-19(16)30-21(20)23-12-17-15-9-8-14(24(27)28)11-13(15)7-10-18(17)25/h7-12,25H,2-6H2,1H3/p-1