[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-(4-nitro-5-propan-2-yl-1,2-oxazol-3-yl)methanone

Systemtic Name: [4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-(4-nitro-5-propan-2-yl-1,2-oxazol-3-yl)methanone Openeye Name: [4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-(5-isopropyl-4-nitro-isoxazol-3-yl)methanone CAS Name: [4-(5-chloro-2-methylphenyl)-1-piperazinyl]-(4-nitro-5-propan-2-yl-3-isoxazolyl)methanone IUPAC Name: [4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(4-nitro-5-propan-2-yl-1,2-oxazol-3-yl)methanone Traditional Name: [4-(5-chloro-2-methyl-phenyl)piperazino]-(5-isopropyl-4-nitro-isoxazol-3-yl)methanone Formula: C18H21ClN4O4 MolecularWeight: 392.83674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)C3=NOC(=C3[N+](=O)[O-])C(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)C3=NOC(=C3[N+](=O)[O-])C(C)C

InChI

InChI=1S/C18H21ClN4O4/c1-11(2)17-16(23(25)26)15(20-27-17)18(24)22-8-6-21(7-9-22)14-10-13(19)5-4-12(14)3/h4-5,10-11H,6-9H2,1-3H3