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

Systemtic Name: (3-cyanophenyl)methyl 4-[(3S)-3-methylpiperidin-1-yl]-3-nitro-benzoate Openeye Name: (3-cyanophenyl)methyl 4-[(3S)-3-methyl-1-piperidyl]-3-nitro-benzoate CAS Name: 4-[(3S)-3-methyl-1-piperidinyl]-3-nitrobenzoic acid (3-cyanophenyl)methyl ester IUPAC Name: (3-cyanophenyl)methyl 4-[(3S)-3-methylpiperidin-1-yl]-3-nitrobenzoate Traditional Name: 4-[(3S)-3-methylpiperidino]-3-nitro-benzoic acid (3-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=CC(=C3)C#N)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)C2=C(C=C(C=C2)C(=O)OCC3=CC=CC(=C3)C#N)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O4/c1-15-4-3-9-23(13-15)19-8-7-18(11-20(19)24(26)27)21(25)28-14-17-6-2-5-16(10-17)12-22/h2,5-8,10-11,15H,3-4,9,13-14H2,1H3/t15-/m0/s1