methyl 4-[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxidanylidene-ethoxy]-3-nitro-benzoate

Systemtic Name: methyl 4-[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxidanylidene-ethoxy]-3-nitro-benzoate Openeye Name: methyl 4-[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxo-ethoxy]-3-nitro-benzoate CAS Name: 4-[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethoxy]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethoxy]-3-nitrobenzoate Traditional Name: 4-[2-keto-2-[[(1S,2S)-2-methylcyclohexyl]amino]ethoxy]-3-nitro-benzoic acid methyl ester Formula: C17H22N2O6 MolecularWeight: 350.36638

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)COC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCC[C@@H]1NC(=O)COC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C17H22N2O6/c1-11-5-3-4-6-13(11)18-16(20)10-25-15-8-7-12(17(21)24-2)9-14(15)19(22)23/h7-9,11,13H,3-6,10H2,1-2H3,(H,18,20)/t11-,13-/m0/s1