N-(1-ethylpiperidin-3-yl)-2-methoxy-5-nitro-benzamide hydrate hydrochloride

Systemtic Name: N-(1-ethylpiperidin-3-yl)-2-methoxy-5-nitro-benzamide hydrate hydrochloride Openeye Name: N-(1-ethyl-3-piperidyl)-2-methoxy-5-nitro-benzamide hydrate hydrochloride CAS Name: N-(1-ethyl-3-piperidinyl)-2-methoxy-5-nitrobenzamide hydrate hydrochloride IUPAC Name: N-(1-ethylpiperidin-3-yl)-2-methoxy-5-nitrobenzamide hydrate hydrochloride Traditional Name: N-(1-ethyl-3-piperidyl)-2-methoxy-5-nitro-benzamide hydrate hydrochloride Formula: C15H24ClN3O5 MolecularWeight: 361.82116

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCCC(C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])OC.O.Cl

Isomeric SMILES

CCN1CCCC(C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])OC.O.Cl

InChI

InChI=1S/C15H21N3O4.ClH.H2O/c1-3-17-8-4-5-11(10-17)16-15(19)13-9-12(18(20)21)6-7-14(13)22-2;;/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,16,19);1H;1H2