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

Systemtic Name: methyl 4-[2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethoxy]-3-nitro-benzoate Openeye Name: methyl 4-[2-[2-(cyanomethylsulfanyl)anilino]-2-oxo-ethoxy]-3-nitro-benzoate CAS Name: 4-[2-[2-(cyanomethylthio)anilino]-2-oxoethoxy]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethoxy]-3-nitrobenzoate Traditional Name: 4-[2-[2-(cyanomethylthio)anilino]-2-keto-ethoxy]-3-nitro-benzoic acid methyl ester Formula: C18H15N3O6S MolecularWeight: 401.3932

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)OCC(=O)NC2=CC=CC=C2SCC#N)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)OCC(=O)NC2=CC=CC=C2SCC#N)[N+](=O)[O-]

InChI

InChI=1S/C18H15N3O6S/c1-26-18(23)12-6-7-15(14(10-12)21(24)25)27-11-17(22)20-13-4-2-3-5-16(13)28-9-8-19/h2-7,10H,9,11H2,1H3,(H,20,22)