2-nitro-4-[3-[4-(phenylmethyl)piperidin-1-yl]propoxy]aniline

Systemtic Name: 2-nitro-4-[3-[4-(phenylmethyl)piperidin-1-yl]propoxy]aniline Openeye Name: 4-[3-(4-benzyl-1-piperidyl)propoxy]-2-nitro-aniline CAS Name: 2-nitro-4-[3-[4-(phenylmethyl)-1-piperidinyl]propoxy]aniline IUPAC Name: 4-[3-(4-benzylpiperidin-1-yl)propoxy]-2-nitroaniline Traditional Name: [4-[3-(4-benzylpiperidino)propoxy]-2-nitro-phenyl]amine Formula: C21H27N3O3 MolecularWeight: 369.45738

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)CCCOC3=CC(=C(C=C3)N)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)CCCOC3=CC(=C(C=C3)N)[N+](=O)[O-]

InChI

InChI=1S/C21H27N3O3/c22-20-8-7-19(16-21(20)24(25)26)27-14-4-11-23-12-9-18(10-13-23)15-17-5-2-1-3-6-17/h1-3,5-8,16,18H,4,9-15,22H2