1-[[3-(4-nitrophenyl)-1,2,4-triazol-1-yl]methyl]-4-(6-nitropyridin-3-yl)piperazine

Systemtic Name: 1-[[3-(4-nitrophenyl)-1,2,4-triazol-1-yl]methyl]-4-(6-nitropyridin-3-yl)piperazine Openeye Name: 1-[[3-(4-nitrophenyl)-1,2,4-triazol-1-yl]methyl]-4-(6-nitro-3-pyridyl)piperazine CAS Name: 1-[[3-(4-nitrophenyl)-1,2,4-triazol-1-yl]methyl]-4-(6-nitro-3-pyridinyl)piperazine IUPAC Name: 1-[[3-(4-nitrophenyl)-1,2,4-triazol-1-yl]methyl]-4-(6-nitropyridin-3-yl)piperazine Traditional Name: 1-[[3-(4-nitrophenyl)-1,2,4-triazol-1-yl]methyl]-4-(6-nitro-3-pyridyl)piperazine Formula: C18H18N8O4 MolecularWeight: 410.38672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N8O4/c27-25(28)15-3-1-14(2-4-15)18-20-12-24(21-18)13-22-7-9-23(10-8-22)16-5-6-17(19-11-16)26(29)30/h1-6,11-12H,7-10,13H2