2-[4-[[3-(4-nitrophenyl)-1,2,4-triazol-1-yl]methyl]piperazin-1-yl]phenol

Systemtic Name: 2-[4-[[3-(4-nitrophenyl)-1,2,4-triazol-1-yl]methyl]piperazin-1-yl]phenol Openeye Name: 2-[4-[[3-(4-nitrophenyl)-1,2,4-triazol-1-yl]methyl]piperazin-1-yl]phenol CAS Name: 2-[4-[[3-(4-nitrophenyl)-1,2,4-triazol-1-yl]methyl]-1-piperazinyl]phenol IUPAC Name: 2-[4-[[3-(4-nitrophenyl)-1,2,4-triazol-1-yl]methyl]piperazin-1-yl]phenol Traditional Name: 2-[4-[[3-(4-nitrophenyl)-1,2,4-triazol-1-yl]methyl]piperazino]phenol Formula: C19H20N6O3 MolecularWeight: 380.4005

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CN2C=NC(=N2)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4O

Isomeric SMILES

C1CN(CCN1CN2C=NC(=N2)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4O

InChI

InChI=1S/C19H20N6O3/c26-18-4-2-1-3-17(18)23-11-9-22(10-12-23)14-24-13-20-19(21-24)15-5-7-16(8-6-15)25(27)28/h1-8,13,26H,9-12,14H2