[4-(2-hydroxyethyl)piperazin-1-yl]-(4-methyl-3-nitro-phenyl)methanone

Systemtic Name: [4-(2-hydroxyethyl)piperazin-1-yl]-(4-methyl-3-nitro-phenyl)methanone Openeye Name: [4-(2-hydroxyethyl)piperazin-1-yl]-(4-methyl-3-nitro-phenyl)methanone CAS Name: [4-(2-hydroxyethyl)-1-piperazinyl]-(4-methyl-3-nitrophenyl)methanone IUPAC Name: [4-(2-hydroxyethyl)piperazin-1-yl]-(4-methyl-3-nitrophenyl)methanone Traditional Name: [4-(2-hydroxyethyl)piperazino]-(4-methyl-3-nitro-phenyl)methanone Formula: C14H19N3O4 MolecularWeight: 293.31836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CCO)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CCO)[N+](=O)[O-]

InChI

InChI=1S/C14H19N3O4/c1-11-2-3-12(10-13(11)17(20)21)14(19)16-6-4-15(5-7-16)8-9-18/h2-3,10,18H,4-9H2,1H3