2-nitrobutyl 3-(aziridin-1-yl)propanoate

Systemtic Name: 2-nitrobutyl 3-(aziridin-1-yl)propanoate Openeye Name: 2-nitrobutyl 3-(aziridin-1-yl)propanoate CAS Name: 3-(1-aziridinyl)propanoic acid 2-nitrobutyl ester IUPAC Name: 2-nitrobutyl 3-(aziridin-1-yl)propanoate Traditional Name: 3-ethyleniminopropionic acid 2-nitrobutyl ester Formula: C9H16N2O4 MolecularWeight: 216.23434

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Descriptors Computed from Structure

Canonical SMILES:

CCC(COC(=O)CCN1CC1)[N+](=O)[O-]

Isomeric SMILES

CCC(COC(=O)CCN1CC1)[N+](=O)[O-]

InChI

InChI=1S/C9H16N2O4/c1-2-8(11(13)14)7-15-9(12)3-4-10-5-6-10/h8H,2-7H2,1H3