methyl 3-[[(1S,2S)-2-methylcyclohexyl]carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[[(1S,2S)-2-methylcyclohexyl]carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[[(1S,2S)-2-methylcyclohexyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[[(1S,2S)-2-methylcyclohexyl]amino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[[(1S,2S)-2-methylcyclohexyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[(1S,2S)-2-methylcyclohexyl]carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C16H20N2O5 MolecularWeight: 320.3404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O5/c1-10-5-3-4-6-14(10)17-15(19)11-7-12(16(20)23-2)9-13(8-11)18(21)22/h7-10,14H,3-6H2,1-2H3,(H,17,19)/t10-,14-/m0/s1