1-[4-(2-chloranylethanoyl)piperazin-1-yl]-3-(3-methyl-4-nitro-phenoxy)propan-1-one

Systemtic Name: 1-[4-(2-chloranylethanoyl)piperazin-1-yl]-3-(3-methyl-4-nitro-phenoxy)propan-1-one Openeye Name: 1-[4-(2-chloroacetyl)piperazin-1-yl]-3-(3-methyl-4-nitro-phenoxy)propan-1-one CAS Name: 1-[4-(2-chloro-1-oxoethyl)-1-piperazinyl]-3-(3-methyl-4-nitrophenoxy)-1-propanone IUPAC Name: 1-[4-(2-chloroacetyl)piperazin-1-yl]-3-(3-methyl-4-nitrophenoxy)propan-1-one Traditional Name: 1-[4-(2-chloroacetyl)piperazino]-3-(3-methyl-4-nitro-phenoxy)propan-1-one Formula: C16H20ClN3O5 MolecularWeight: 369.8001

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCCC(=O)N2CCN(CC2)C(=O)CCl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)OCCC(=O)N2CCN(CC2)C(=O)CCl)[N+](=O)[O-]

InChI

InChI=1S/C16H20ClN3O5/c1-12-10-13(2-3-14(12)20(23)24)25-9-4-15(21)18-5-7-19(8-6-18)16(22)11-17/h2-3,10H,4-9,11H2,1H3