[1-[(3-nitrophenyl)methyl]piperidin-4-yl] 4-methylbenzoate

Systemtic Name: [1-[(3-nitrophenyl)methyl]piperidin-4-yl] 4-methylbenzoate Openeye Name: [1-[(3-nitrophenyl)methyl]-4-piperidyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [1-[(3-nitrophenyl)methyl]-4-piperidinyl] ester IUPAC Name: [1-[(3-nitrophenyl)methyl]piperidin-4-yl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [1-(3-nitrobenzyl)-4-piperidyl] ester Formula: C20H22N2O4 MolecularWeight: 354.39968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2CCN(CC2)CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2CCN(CC2)CC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H22N2O4/c1-15-5-7-17(8-6-15)20(23)26-19-9-11-21(12-10-19)14-16-3-2-4-18(13-16)22(24)25/h2-8,13,19H,9-12,14H2,1H3