2-nitro-4-[[4-(phenylmethyl)piperazin-1-yl]methyl]phenol

Systemtic Name: 2-nitro-4-[[4-(phenylmethyl)piperazin-1-yl]methyl]phenol Openeye Name: 4-[(4-benzylpiperazin-1-yl)methyl]-2-nitro-phenol CAS Name: 2-nitro-4-[[4-(phenylmethyl)-1-piperazinyl]methyl]phenol IUPAC Name: 4-[(4-benzylpiperazin-1-yl)methyl]-2-nitrophenol Traditional Name: 4-[(4-benzylpiperazino)methyl]-2-nitro-phenol Formula: C18H21N3O3 MolecularWeight: 327.37764

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)CC3=CC(=C(C=C3)O)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)CC3=CC(=C(C=C3)O)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O3/c22-18-7-6-16(12-17(18)21(23)24)14-20-10-8-19(9-11-20)13-15-4-2-1-3-5-15/h1-7,12,22H,8-11,13-14H2