(4-cyanophenyl) 4-(4-methylpiperidin-1-yl)-3-nitro-benzoate

Systemtic Name: (4-cyanophenyl) 4-(4-methylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: (4-cyanophenyl) 4-(4-methyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(4-methyl-1-piperidinyl)-3-nitrobenzoic acid (4-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) 4-(4-methylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(4-methylpiperidino)-3-nitro-benzoic acid (4-cyanophenyl) ester Formula: C20H19N3O4 MolecularWeight: 365.38256

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC3=CC=C(C=C3)C#N)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC3=CC=C(C=C3)C#N)[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O4/c1-14-8-10-22(11-9-14)18-7-4-16(12-19(18)23(25)26)20(24)27-17-5-2-15(13-21)3-6-17/h2-7,12,14H,8-11H2,1H3