(1-butylpiperidin-3-yl)methyl 4-nitrobenzoate

Systemtic Name: (1-butylpiperidin-3-yl)methyl 4-nitrobenzoate Openeye Name: (1-butyl-3-piperidyl)methyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid (1-butyl-3-piperidinyl)methyl ester IUPAC Name: (1-butylpiperidin-3-yl)methyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid (1-butyl-3-piperidyl)methyl ester Formula: C17H24N2O4 MolecularWeight: 320.38346

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCCC(C1)COC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCN1CCCC(C1)COC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H24N2O4/c1-2-3-10-18-11-4-5-14(12-18)13-23-17(20)15-6-8-16(9-7-15)19(21)22/h6-9,14H,2-5,10-13H2,1H3