methyl 4-(3,5-dimethylpiperidin-1-yl)-3-nitro-benzoate

Systemtic Name: methyl 4-(3,5-dimethylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: methyl 4-(3,5-dimethyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(3,5-dimethyl-1-piperidinyl)-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-(3,5-dimethylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(3,5-dimethylpiperidino)-3-nitro-benzoic acid methyl ester Formula: C15H20N2O4 MolecularWeight: 292.3303

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N2O4/c1-10-6-11(2)9-16(8-10)13-5-4-12(15(18)21-3)7-14(13)17(19)20/h4-5,7,10-11H,6,8-9H2,1-3H3