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4-(2-methylphenyl)-2-nitro-3-(piperazin-1-ylmethyl)phenol

4-(2-methylphenyl)-2-nitro-3-(piperazin-1-ylmethyl)phenol

Systemtic Name:4-(2-methylphenyl)-2-nitro-3-(piperazin-1-ylmethyl)phenol
Openeye Name:2-nitro-4-(o-tolyl)-3-(piperazin-1-ylmethyl)phenol
CAS Name:4-(2-methylphenyl)-2-nitro-3-(1-piperazinylmethyl)phenol
IUPAC Name:4-(2-methylphenyl)-2-nitro-3-(piperazin-1-ylmethyl)phenol
Traditional Name:2-nitro-4-(o-tolyl)-3-(piperazinomethyl)phenol
Formula: C18H21N3O3
MolecularWeight: 327.37764
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C(=C(C=C2)O)[N+](=O)[O-])CN3CCNCC3


Isomeric SMILES

CC1=CC=CC=C1C2=C(C(=C(C=C2)O)[N+](=O)[O-])CN3CCNCC3


InChI

InChI=1S/C18H21N3O3/c1-13-4-2-3-5-14(13)15-6-7-17(22)18(21(23)24)16(15)12-20-10-8-19-9-11-20/h2-7,19,22H,8-12H2,1H3


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