5-(4-imidazol-1-ylbutoxy)-2-nitro-benzaldehyde

Systemtic Name: 5-(4-imidazol-1-ylbutoxy)-2-nitro-benzaldehyde Openeye Name: 5-(4-imidazol-1-ylbutoxy)-2-nitro-benzaldehyde CAS Name: 5-[4-(1-imidazolyl)butoxy]-2-nitrobenzaldehyde IUPAC Name: 5-(4-imidazol-1-ylbutoxy)-2-nitrobenzaldehyde Traditional Name: 5-(4-imidazol-1-ylbutoxy)-2-nitro-benzaldehyde Formula: C14H15N3O4 MolecularWeight: 289.2866

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1OCCCCN2C=CN=C2)C=O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1OCCCCN2C=CN=C2)C=O)[N+](=O)[O-]

InChI

InChI=1S/C14H15N3O4/c18-10-12-9-13(3-4-14(12)17(19)20)21-8-2-1-6-16-7-5-15-11-16/h3-5,7,9-11H,1-2,6,8H2