ethanedioic acid; N-[(3-nitro-4-piperidin-1-yl-phenyl)methyl]-1-phenyl-methanamine

Systemtic Name: ethanedioic acid; N-[(3-nitro-4-piperidin-1-yl-phenyl)methyl]-1-phenyl-methanamine Openeye Name: N-[[3-nitro-4-(1-piperidyl)phenyl]methyl]-1-phenyl-methanamine; oxalic acid CAS Name: N-[[3-nitro-4-(1-piperidinyl)phenyl]methyl]-1-phenylmethanamine; oxalic acid IUPAC Name: N-[(3-nitro-4-piperidin-1-ylphenyl)methyl]-1-phenylmethanamine; oxalic acid Traditional Name: benzyl-(3-nitro-4-piperidino-benzyl)amine; oxalic acid Formula: C21H25N3O6 MolecularWeight: 415.4397

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)CNCC3=CC=CC=C3)[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)CNCC3=CC=CC=C3)[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C19H23N3O2.C2H2O4/c23-22(24)19-13-17(15-20-14-16-7-3-1-4-8-16)9-10-18(19)21-11-5-2-6-12-21;3-1(4)2(5)6/h1,3-4,7-10,13,20H,2,5-6,11-12,14-15H2;(H,3,4)(H,5,6)