methyl 3-nitro-4-[2-oxidanylidene-2-[[phenyl(thiophen-2-yl)methyl]amino]ethoxy]benzoate

Systemtic Name: methyl 3-nitro-4-[2-oxidanylidene-2-[[phenyl(thiophen-2-yl)methyl]amino]ethoxy]benzoate Openeye Name: methyl 3-nitro-4-[2-oxo-2-[[phenyl(2-thienyl)methyl]amino]ethoxy]benzoate CAS Name: 3-nitro-4-[2-oxo-2-[[phenyl(thiophen-2-yl)methyl]amino]ethoxy]benzoic acid methyl ester IUPAC Name: methyl 3-nitro-4-[2-oxo-2-[[phenyl(thiophen-2-yl)methyl]amino]ethoxy]benzoate Traditional Name: 4-[2-keto-2-[[phenyl(2-thienyl)methyl]amino]ethoxy]-3-nitro-benzoic acid methyl ester Formula: C21H18N2O6S MolecularWeight: 426.44242

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)OCC(=O)NC(C2=CC=CC=C2)C3=CC=CS3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)OCC(=O)NC(C2=CC=CC=C2)C3=CC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C21H18N2O6S/c1-28-21(25)15-9-10-17(16(12-15)23(26)27)29-13-19(24)22-20(18-8-5-11-30-18)14-6-3-2-4-7-14/h2-12,20H,13H2,1H3,(H,22,24)