methyl 4-[(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl]oxy-3-nitro-benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1(CCCCC1)C#N)OC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)NC1(CCCCC1)C#N)OC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O6/c1-12(16(22)20-18(11-19)8-4-3-5-9-18)27-15-7-6-13(17(23)26-2)10-14(15)21(24)25/h6-7,10,12H,3-5,8-9H2,1-2H3,(H,20,22)/t12-/m1/s1