methyl 4-[2-[(5-chloranyl-2-cyano-phenyl)amino]-2-oxidanylidene-ethoxy]-3-nitro-benzoate

Systemtic Name: methyl 4-[2-[(5-chloranyl-2-cyano-phenyl)amino]-2-oxidanylidene-ethoxy]-3-nitro-benzoate Openeye Name: methyl 4-[2-(5-chloro-2-cyano-anilino)-2-oxo-ethoxy]-3-nitro-benzoate CAS Name: 4-[2-(5-chloro-2-cyanoanilino)-2-oxoethoxy]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[2-(5-chloro-2-cyanoanilino)-2-oxoethoxy]-3-nitrobenzoate Traditional Name: 4-[2-(5-chloro-2-cyano-anilino)-2-keto-ethoxy]-3-nitro-benzoic acid methyl ester Formula: C17H12ClN3O6 MolecularWeight: 389.74668

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)OCC(=O)NC2=C(C=CC(=C2)Cl)C#N)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)OCC(=O)NC2=C(C=CC(=C2)Cl)C#N)[N+](=O)[O-]

InChI

InChI=1S/C17H12ClN3O6/c1-26-17(23)10-3-5-15(14(6-10)21(24)25)27-9-16(22)20-13-7-12(18)4-2-11(13)8-19/h2-7H,9H2,1H3,(H,20,22)