3-butyl-2-nitro-2H-imidazole-1-carbaldehyde

Systemtic Name: 3-butyl-2-nitro-2H-imidazole-1-carbaldehyde Openeye Name: 3-butyl-2-nitro-2H-imidazole-1-carbaldehyde CAS Name: 3-butyl-2-nitro-2H-imidazole-1-carboxaldehyde IUPAC Name: 3-butyl-2-nitro-2H-imidazole-1-carbaldehyde Traditional Name: 3-butyl-2-nitro-4-imidazoline-1-carbaldehyde Formula: C8H13N3O3 MolecularWeight: 199.20712

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=CN(C1[N+](=O)[O-])C=O

Isomeric SMILES

CCCCN1C=CN(C1[N+](=O)[O-])C=O

InChI

InChI=1S/C8H13N3O3/c1-2-3-4-9-5-6-10(7-12)8(9)11(13)14/h5-8H,2-4H2,1H3