(3-methylphenyl)methyl 3-nitro-4-piperidin-1-yl-benzoate

Systemtic Name: (3-methylphenyl)methyl 3-nitro-4-piperidin-1-yl-benzoate Openeye Name: m-tolylmethyl 3-nitro-4-(1-piperidyl)benzoate CAS Name: 3-nitro-4-(1-piperidinyl)benzoic acid (3-methylphenyl)methyl ester IUPAC Name: (3-methylphenyl)methyl 3-nitro-4-piperidin-1-ylbenzoate Traditional Name: 3-nitro-4-piperidino-benzoic acid (3-methylbenzyl) ester Formula: C20H22N2O4 MolecularWeight: 354.39968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)COC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)COC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H22N2O4/c1-15-6-5-7-16(12-15)14-26-20(23)17-8-9-18(19(13-17)22(24)25)21-10-3-2-4-11-21/h5-9,12-13H,2-4,10-11,14H2,1H3