methyl 2-[4-(2-methylpropanoyl)piperazin-1-yl]-5-nitro-benzoate

Systemtic Name: methyl 2-[4-(2-methylpropanoyl)piperazin-1-yl]-5-nitro-benzoate Openeye Name: methyl 2-[4-(2-methylpropanoyl)piperazin-1-yl]-5-nitro-benzoate CAS Name: 2-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-[4-(2-methylpropanoyl)piperazin-1-yl]-5-nitrobenzoate Traditional Name: 2-(4-isobutyrylpiperazino)-5-nitro-benzoic acid methyl ester Formula: C16H21N3O5 MolecularWeight: 335.35504

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC(C)C(=O)N1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C16H21N3O5/c1-11(2)15(20)18-8-6-17(7-9-18)14-5-4-12(19(22)23)10-13(14)16(21)24-3/h4-5,10-11H,6-9H2,1-3H3