2-(pyridin-3-ylcarbonylamino)ethyl 3-nitro-4-piperidin-1-yl-benzoate hydrochloride

Systemtic Name: 2-(pyridin-3-ylcarbonylamino)ethyl 3-nitro-4-piperidin-1-yl-benzoate hydrochloride Openeye Name: 2-(pyridine-3-carbonylamino)ethyl 3-nitro-4-(1-piperidyl)benzoate hydrochloride CAS Name: 3-nitro-4-(1-piperidinyl)benzoic acid 2-[[oxo(3-pyridinyl)methyl]amino]ethyl ester hydrochloride IUPAC Name: 2-(pyridine-3-carbonylamino)ethyl 3-nitro-4-piperidin-1-ylbenzoate hydrochloride Traditional Name: 3-nitro-4-piperidino-benzoic acid 2-nicotinamidoethyl ester hydrochloride Formula: C20H23ClN4O5 MolecularWeight: 434.87342

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCCNC(=O)C3=CN=CC=C3)[N+](=O)[O-].Cl

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCCNC(=O)C3=CN=CC=C3)[N+](=O)[O-].Cl

InChI

InChI=1S/C20H22N4O5.ClH/c25-19(16-5-4-8-21-14-16)22-9-12-29-20(26)15-6-7-17(18(13-15)24(27)28)23-10-2-1-3-11-23;/h4-8,13-14H,1-3,9-12H2,(H,22,25);1H