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

Systemtic Name: 2-(phenylcarbonyloxy)ethyl 3-nitro-4-piperidin-1-yl-benzoate Openeye Name: 2-benzoyloxyethyl 3-nitro-4-(1-piperidyl)benzoate CAS Name: 3-nitro-4-(1-piperidinyl)benzoic acid 2-benzoyloxyethyl ester IUPAC Name: 2-benzoyloxyethyl 3-nitro-4-piperidin-1-ylbenzoate Traditional Name: 3-nitro-4-piperidino-benzoic acid 2-benzoyloxyethyl ester Formula: C21H22N2O6 MolecularWeight: 398.40918

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCCOC(=O)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCCOC(=O)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H22N2O6/c24-20(16-7-3-1-4-8-16)28-13-14-29-21(25)17-9-10-18(19(15-17)23(26)27)22-11-5-2-6-12-22/h1,3-4,7-10,15H,2,5-6,11-14H2