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

Systemtic Name: (4-cyanophenyl)methyl 4-(3-methylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: (4-cyanophenyl)methyl 4-(3-methyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(3-methyl-1-piperidinyl)-3-nitrobenzoic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 4-(3-methylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(3-methylpiperidino)-3-nitro-benzoic acid (4-cyanobenzyl) ester Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)OCC3=CC=C(C=C3)C#N)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)OCC3=CC=C(C=C3)C#N)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O4/c1-15-3-2-10-23(13-15)19-9-8-18(11-20(19)24(26)27)21(25)28-14-17-6-4-16(12-22)5-7-17/h4-9,11,15H,2-3,10,13-14H2,1H3