ethyl 3-(1H-imidazol-2-yl)-4-nitro-butanoate

Systemtic Name: ethyl 3-(1H-imidazol-2-yl)-4-nitro-butanoate Openeye Name: ethyl 3-(1H-imidazol-2-yl)-4-nitro-butanoate CAS Name: 3-(1H-imidazol-2-yl)-4-nitrobutanoic acid ethyl ester IUPAC Name: ethyl 3-(1H-imidazol-2-yl)-4-nitrobutanoate Traditional Name: 3-(1H-imidazol-2-yl)-4-nitro-butyric acid ethyl ester Formula: C9H13N3O4 MolecularWeight: 227.21722

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C[N+](=O)[O-])C1=NC=CN1

Isomeric SMILES

CCOC(=O)CC(C[N+](=O)[O-])C1=NC=CN1

InChI

InChI=1S/C9H13N3O4/c1-2-16-8(13)5-7(6-12(14)15)9-10-3-4-11-9/h3-4,7H,2,5-6H2,1H3,(H,10,11)