4-[4-(2-methylpropyl)piperazin-1-yl]-3-nitro-benzaldehyde

Systemtic Name: 4-[4-(2-methylpropyl)piperazin-1-yl]-3-nitro-benzaldehyde Openeye Name: 4-(4-isobutylpiperazin-1-yl)-3-nitro-benzaldehyde CAS Name: 4-[4-(2-methylpropyl)-1-piperazinyl]-3-nitrobenzaldehyde IUPAC Name: 4-[4-(2-methylpropyl)piperazin-1-yl]-3-nitrobenzaldehyde Traditional Name: 4-(4-isobutylpiperazino)-3-nitro-benzaldehyde Formula: C15H21N3O3 MolecularWeight: 291.34554

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1CCN(CC1)C2=C(C=C(C=C2)C=O)[N+](=O)[O-]

Isomeric SMILES

CC(C)CN1CCN(CC1)C2=C(C=C(C=C2)C=O)[N+](=O)[O-]

InChI

InChI=1S/C15H21N3O3/c1-12(2)10-16-5-7-17(8-6-16)14-4-3-13(11-19)9-15(14)18(20)21/h3-4,9,11-12H,5-8,10H2,1-2H3