2-(4-chloranylphenoxy)ethyl 4-[(3S)-3-methylpiperidin-1-yl]-3-nitro-benzoate

Systemtic Name: 2-(4-chloranylphenoxy)ethyl 4-[(3S)-3-methylpiperidin-1-yl]-3-nitro-benzoate Openeye Name: 2-(4-chlorophenoxy)ethyl 4-[(3S)-3-methyl-1-piperidyl]-3-nitro-benzoate CAS Name: 4-[(3S)-3-methyl-1-piperidinyl]-3-nitrobenzoic acid 2-(4-chlorophenoxy)ethyl ester IUPAC Name: 2-(4-chlorophenoxy)ethyl 4-[(3S)-3-methylpiperidin-1-yl]-3-nitrobenzoate Traditional Name: 4-[(3S)-3-methylpiperidino]-3-nitro-benzoic acid 2-(4-chlorophenoxy)ethyl ester Formula: C21H23ClN2O5 MolecularWeight: 418.87072

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)OCCOC3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)C2=C(C=C(C=C2)C(=O)OCCOC3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H23ClN2O5/c1-15-3-2-10-23(14-15)19-9-4-16(13-20(19)24(26)27)21(25)29-12-11-28-18-7-5-17(22)6-8-18/h4-9,13,15H,2-3,10-12,14H2,1H3/t15-/m0/s1