3-nitro-4-(4-propan-2-ylpiperazin-1-yl)benzaldehyde

Systemtic Name: 3-nitro-4-(4-propan-2-ylpiperazin-1-yl)benzaldehyde Openeye Name: 4-(4-isopropylpiperazin-1-yl)-3-nitro-benzaldehyde CAS Name: 3-nitro-4-(4-propan-2-yl-1-piperazinyl)benzaldehyde IUPAC Name: 3-nitro-4-(4-propan-2-ylpiperazin-1-yl)benzaldehyde Traditional Name: 4-(4-isopropylpiperazino)-3-nitro-benzaldehyde Formula: C14H19N3O3 MolecularWeight: 277.31896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N3O3/c1-11(2)15-5-7-16(8-6-15)13-4-3-12(10-18)9-14(13)17(19)20/h3-4,9-11H,5-8H2,1-2H3