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

Systemtic Name: methyl 4-[2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethoxy]-3-nitro-benzoate Openeye Name: methyl 4-[2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxo-ethoxy]-3-nitro-benzoate CAS Name: 4-[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethoxy]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethoxy]-3-nitrobenzoate Traditional Name: 4-[2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-ethoxy]-3-nitro-benzoic acid methyl ester Formula: C18H21N3O6 MolecularWeight: 375.37584

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)COC1=C(C=C(C=C1)C(=O)OC)[N+](=O)[O-])C2(CCCCC2)C#N

Isomeric SMILES

CN(C(=O)COC1=C(C=C(C=C1)C(=O)OC)[N+](=O)[O-])C2(CCCCC2)C#N

InChI

InChI=1S/C18H21N3O6/c1-20(18(12-19)8-4-3-5-9-18)16(22)11-27-15-7-6-13(17(23)26-2)10-14(15)21(24)25/h6-7,10H,3-5,8-9,11H2,1-2H3