5-(3-imidazol-1-ylpropoxy)-2-nitro-benzaldehyde

Systemtic Name: 5-(3-imidazol-1-ylpropoxy)-2-nitro-benzaldehyde Openeye Name: 5-(3-imidazol-1-ylpropoxy)-2-nitro-benzaldehyde CAS Name: 5-[3-(1-imidazolyl)propoxy]-2-nitrobenzaldehyde IUPAC Name: 5-(3-imidazol-1-ylpropoxy)-2-nitrobenzaldehyde Traditional Name: 5-(3-imidazol-1-ylpropoxy)-2-nitro-benzaldehyde Formula: C13H13N3O4 MolecularWeight: 275.26002

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1OCCCN2C=CN=C2)C=O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1OCCCN2C=CN=C2)C=O)[N+](=O)[O-]

InChI

InChI=1S/C13H13N3O4/c17-9-11-8-12(2-3-13(11)16(18)19)20-7-1-5-15-6-4-14-10-15/h2-4,6,8-10H,1,5,7H2