methyl 4-[2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethoxy]-3-nitro-benzoate

Systemtic Name: methyl 4-[2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethoxy]-3-nitro-benzoate Openeye Name: methyl 4-[2-[(1-cyanocyclohexyl)amino]-2-oxo-ethoxy]-3-nitro-benzoate CAS Name: 4-[2-[(1-cyanocyclohexyl)amino]-2-oxoethoxy]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[2-[(1-cyanocyclohexyl)amino]-2-oxoethoxy]-3-nitrobenzoate Traditional Name: 4-[2-[(1-cyanocyclohexyl)amino]-2-keto-ethoxy]-3-nitro-benzoic acid methyl ester Formula: C17H19N3O6 MolecularWeight: 361.34926

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)OCC(=O)NC2(CCCCC2)C#N)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)OCC(=O)NC2(CCCCC2)C#N)[N+](=O)[O-]

InChI

InChI=1S/C17H19N3O6/c1-25-16(22)12-5-6-14(13(9-12)20(23)24)26-10-15(21)19-17(11-18)7-3-2-4-8-17/h5-6,9H,2-4,7-8,10H2,1H3,(H,19,21)