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

Systemtic Name: 3-nitro-4-(2-propan-2-ylimidazol-1-yl)benzaldehyde Openeye Name: 4-(2-isopropylimidazol-1-yl)-3-nitro-benzaldehyde CAS Name: 3-nitro-4-(2-propan-2-yl-1-imidazolyl)benzaldehyde IUPAC Name: 3-nitro-4-(2-propan-2-ylimidazol-1-yl)benzaldehyde Traditional Name: 4-(2-isopropylimidazol-1-yl)-3-nitro-benzaldehyde Formula: C13H13N3O3 MolecularWeight: 259.26062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC=CN1C2=C(C=C(C=C2)C=O)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=NC=CN1C2=C(C=C(C=C2)C=O)[N+](=O)[O-]

InChI

InChI=1S/C13H13N3O3/c1-9(2)13-14-5-6-15(13)11-4-3-10(8-17)7-12(11)16(18)19/h3-9H,1-2H3