2-(4-methylphenoxy)ethyl 3-nitro-4-piperidin-1-yl-benzoate

Systemtic Name: 2-(4-methylphenoxy)ethyl 3-nitro-4-piperidin-1-yl-benzoate Openeye Name: 2-(4-methylphenoxy)ethyl 3-nitro-4-(1-piperidyl)benzoate CAS Name: 3-nitro-4-(1-piperidinyl)benzoic acid 2-(4-methylphenoxy)ethyl ester IUPAC Name: 2-(4-methylphenoxy)ethyl 3-nitro-4-piperidin-1-ylbenzoate Traditional Name: 3-nitro-4-piperidino-benzoic acid 2-(4-methylphenoxy)ethyl ester Formula: C21H24N2O5 MolecularWeight: 384.42566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O5/c1-16-5-8-18(9-6-16)27-13-14-28-21(24)17-7-10-19(20(15-17)23(25)26)22-11-3-2-4-12-22/h5-10,15H,2-4,11-14H2,1H3