methyl 3-(3,5-dimethylpiperidin-1-yl)carbonyl-5-nitro-benzoate

Systemtic Name: methyl 3-(3,5-dimethylpiperidin-1-yl)carbonyl-5-nitro-benzoate Openeye Name: methyl 3-(3,5-dimethylpiperidine-1-carbonyl)-5-nitro-benzoate CAS Name: 3-[(3,5-dimethyl-1-piperidinyl)-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-(3,5-dimethylpiperidine-1-carbonyl)-5-nitrobenzoate Traditional Name: 3-(3,5-dimethylpiperidine-1-carbonyl)-5-nitro-benzoic acid methyl ester Formula: C16H20N2O5 MolecularWeight: 320.3404

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC)C

Isomeric SMILES

CC1CC(CN(C1)C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC)C

InChI

InChI=1S/C16H20N2O5/c1-10-4-11(2)9-17(8-10)15(19)12-5-13(16(20)23-3)7-14(6-12)18(21)22/h5-7,10-11H,4,8-9H2,1-3H3