[(2S)-4-(2-chloranyl-4-nitro-phenyl)-2-methyl-piperazin-1-yl]-(5-methylfuran-2-yl)methanone

Systemtic Name: [(2S)-4-(2-chloranyl-4-nitro-phenyl)-2-methyl-piperazin-1-yl]-(5-methylfuran-2-yl)methanone Openeye Name: [(2S)-4-(2-chloro-4-nitro-phenyl)-2-methyl-piperazin-1-yl]-(5-methyl-2-furyl)methanone CAS Name: [(2S)-4-(2-chloro-4-nitrophenyl)-2-methyl-1-piperazinyl]-(5-methyl-2-furanyl)methanone IUPAC Name: [(2S)-4-(2-chloro-4-nitrophenyl)-2-methylpiperazin-1-yl]-(5-methylfuran-2-yl)methanone Traditional Name: [(2S)-4-(2-chloro-4-nitro-phenyl)-2-methyl-piperazino]-(5-methyl-2-furyl)methanone Formula: C17H18ClN3O4 MolecularWeight: 363.79552

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2=CC=C(O2)C)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C[C@H]1CN(CCN1C(=O)C2=CC=C(O2)C)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H18ClN3O4/c1-11-10-19(15-5-4-13(21(23)24)9-14(15)18)7-8-20(11)17(22)16-6-3-12(2)25-16/h3-6,9,11H,7-8,10H2,1-2H3/t11-/m0/s1