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

Systemtic Name: 2-[(3-ethoxycarbonyl-4,5-dimethyl-thiophen-2-yl)iminomethyl]-4-methoxy-6-nitro-phenolate Openeye Name: 2-[(3-ethoxycarbonyl-4,5-dimethyl-2-thienyl)iminomethyl]-4-methoxy-6-nitro-phenolate CAS Name: 2-[(3-ethoxycarbonyl-4,5-dimethyl-2-thiophenyl)iminomethyl]-4-methoxy-6-nitrophenolate IUPAC Name: 2-[(3-ethoxycarbonyl-4,5-dimethylthiophen-2-yl)iminomethyl]-4-methoxy-6-nitrophenolate Traditional Name: 2-[(3-carbethoxy-4,5-dimethyl-2-thienyl)iminomethyl]-4-methoxy-6-nitro-phenolate Formula: C17H17N2O6S- MolecularWeight: 377.39168

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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-])OC

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O6S/c1-5-25-17(21)14-9(2)10(3)26-16(14)18-8-11-6-12(24-4)7-13(15(11)20)19(22)23/h6-8,20H,5H2,1-4H3/p-1