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

Systemtic Name: 4-methyl-3-nitro-N-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide Openeye Name: 4-methyl-3-nitro-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide CAS Name: 4-methyl-3-nitro-N-[2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]benzamide IUPAC Name: 4-methyl-3-nitro-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide Traditional Name: N-[2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl]-4-methyl-3-nitro-benzamide Formula: C18H20N6O4 MolecularWeight: 384.3892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCC(=O)N2CCN(CC2)C3=NC=CC=N3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCC(=O)N2CCN(CC2)C3=NC=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C18H20N6O4/c1-13-3-4-14(11-15(13)24(27)28)17(26)21-12-16(25)22-7-9-23(10-8-22)18-19-5-2-6-20-18/h2-6,11H,7-10,12H2,1H3,(H,21,26)