N-(4-methyl-3-nitro-phenyl)-2-[4-(6-nitropyridin-3-yl)piperazin-1-yl]ethanamide

Systemtic Name: N-(4-methyl-3-nitro-phenyl)-2-[4-(6-nitropyridin-3-yl)piperazin-1-yl]ethanamide Openeye Name: N-(4-methyl-3-nitro-phenyl)-2-[4-(6-nitro-3-pyridyl)piperazin-1-yl]acetamide CAS Name: N-(4-methyl-3-nitrophenyl)-2-[4-(6-nitro-3-pyridinyl)-1-piperazinyl]acetamide IUPAC Name: N-(4-methyl-3-nitrophenyl)-2-[4-(6-nitropyridin-3-yl)piperazin-1-yl]acetamide Traditional Name: N-(4-methyl-3-nitro-phenyl)-2-[4-(6-nitro-3-pyridyl)piperazino]acetamide Formula: C18H20N6O5 MolecularWeight: 400.3886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CN2CCN(CC2)C3=CN=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CN2CCN(CC2)C3=CN=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H20N6O5/c1-13-2-3-14(10-16(13)23(26)27)20-18(25)12-21-6-8-22(9-7-21)15-4-5-17(19-11-15)24(28)29/h2-5,10-11H,6-9,12H2,1H3,(H,20,25)