2-methylidene-14-[4-(4-nitrophenyl)piperazin-1-yl]tetradecanoic acid

Systemtic Name: 2-methylidene-14-[4-(4-nitrophenyl)piperazin-1-yl]tetradecanoic acid Openeye Name: 2-methylene-14-[4-(4-nitrophenyl)piperazin-1-yl]tetradecanoic acid CAS Name: 2-methylene-14-[4-(4-nitrophenyl)-1-piperazinyl]tetradecanoic acid IUPAC Name: 2-methylidene-14-[4-(4-nitrophenyl)piperazin-1-yl]tetradecanoic acid Traditional Name: 2-[12-[4-(4-nitrophenyl)piperazino]dodecyl]acrylic acid Formula: C25H39N3O4 MolecularWeight: 445.59486

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Descriptors Computed from Structure

Canonical SMILES:

C=C(CCCCCCCCCCCCN1CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C=C(CCCCCCCCCCCCN1CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C25H39N3O4/c1-22(25(29)30)12-10-8-6-4-2-3-5-7-9-11-17-26-18-20-27(21-19-26)23-13-15-24(16-14-23)28(31)32/h13-16H,1-12,17-21H2,(H,29,30)