4-chloranyl-2-[(3-ethoxycarbonyl-4,5-dimethyl-thiophen-2-yl)iminomethyl]-6-nitro-phenolate

Systemtic Name: 4-chloranyl-2-[(3-ethoxycarbonyl-4,5-dimethyl-thiophen-2-yl)iminomethyl]-6-nitro-phenolate Openeye Name: 4-chloro-2-[(3-ethoxycarbonyl-4,5-dimethyl-2-thienyl)iminomethyl]-6-nitro-phenolate CAS Name: 4-chloro-2-[(3-ethoxycarbonyl-4,5-dimethyl-2-thiophenyl)iminomethyl]-6-nitrophenolate IUPAC Name: 4-chloro-2-[(3-ethoxycarbonyl-4,5-dimethylthiophen-2-yl)iminomethyl]-6-nitrophenolate Traditional Name: 2-[(3-carbethoxy-4,5-dimethyl-2-thienyl)iminomethyl]-4-chloro-6-nitro-phenolate Formula: C16H14ClN2O5S- MolecularWeight: 381.81076

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)N=CC2=CC(=CC(=C2[O-])[N+](=O)[O-])Cl

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)N=CC2=CC(=CC(=C2[O-])[N+](=O)[O-])Cl

InChI

InChI=1S/C16H15ClN2O5S/c1-4-24-16(21)13-8(2)9(3)25-15(13)18-7-10-5-11(17)6-12(14(10)20)19(22)23/h5-7,20H,4H2,1-3H3/p-1