ethanedioic acid; N-[2-[(3-nitro-4-piperidin-1-yl-phenyl)methylamino]ethyl]ethanamide

Systemtic Name: ethanedioic acid; N-[2-[(3-nitro-4-piperidin-1-yl-phenyl)methylamino]ethyl]ethanamide Openeye Name: N-[2-[[3-nitro-4-(1-piperidyl)phenyl]methylamino]ethyl]acetamide; oxalic acid CAS Name: N-[2-[[3-nitro-4-(1-piperidinyl)phenyl]methylamino]ethyl]acetamide; oxalic acid IUPAC Name: N-[2-[(3-nitro-4-piperidin-1-ylphenyl)methylamino]ethyl]acetamide; oxalic acid Traditional Name: N-[2-[(3-nitro-4-piperidino-benzyl)amino]ethyl]acetamide; oxalic acid Formula: C18H26N4O7 MolecularWeight: 410.42164

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNCC1=CC(=C(C=C1)N2CCCCC2)[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

CC(=O)NCCNCC1=CC(=C(C=C1)N2CCCCC2)[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C16H24N4O3.C2H2O4/c1-13(21)18-8-7-17-12-14-5-6-15(16(11-14)20(22)23)19-9-3-2-4-10-19;3-1(4)2(5)6/h5-6,11,17H,2-4,7-10,12H2,1H3,(H,18,21);(H,3,4)(H,5,6)