4-chloranyl-3-nitro-N-[1-oxidanylidene-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]benzamide

Systemtic Name: 4-chloranyl-3-nitro-N-[1-oxidanylidene-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]benzamide Openeye Name: 4-chloro-N-[1-methyl-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-3-nitro-benzamide CAS Name: 4-chloro-3-nitro-N-[1-oxo-1-[4-(2-pyrimidinyl)-1-piperazinyl]propan-2-yl]benzamide IUPAC Name: 4-chloro-3-nitro-N-[1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]benzamide Traditional Name: 4-chloro-N-[2-keto-1-methyl-2-[4-(2-pyrimidyl)piperazino]ethyl]-3-nitro-benzamide Formula: C18H19ClN6O4 MolecularWeight: 418.83426

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C2=NC=CC=N2)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)N1CCN(CC1)C2=NC=CC=N2)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H19ClN6O4/c1-12(22-16(26)13-3-4-14(19)15(11-13)25(28)29)17(27)23-7-9-24(10-8-23)18-20-5-2-6-21-18/h2-6,11-12H,7-10H2,1H3,(H,22,26)