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

Systemtic Name: (3-methylphenyl) 3-nitro-4-piperidin-1-yl-benzoate Openeye Name: m-tolyl 3-nitro-4-(1-piperidyl)benzoate CAS Name: 3-nitro-4-(1-piperidinyl)benzoic acid (3-methylphenyl) ester IUPAC Name: (3-methylphenyl) 3-nitro-4-piperidin-1-ylbenzoate Traditional Name: 3-nitro-4-piperidino-benzoic acid m-tolyl ester Formula: C19H20N2O4 MolecularWeight: 340.3731

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O4/c1-14-6-5-7-16(12-14)25-19(22)15-8-9-17(18(13-15)21(23)24)20-10-3-2-4-11-20/h5-9,12-13H,2-4,10-11H2,1H3