N-butyl-N-[(2S)-2-isocyanato-4-methyl-pentanoyl]carbamoyl chloride

Systemtic Name: N-butyl-N-[(2S)-2-isocyanato-4-methyl-pentanoyl]carbamoyl chloride Openeye Name: N-butyl-N-[(2S)-2-isocyanato-4-methyl-pentanoyl]carbamoyl chloride CAS Name: N-butyl-N-[(2S)-2-isocyanato-4-methyl-1-oxopentyl]carbamoyl chloride IUPAC Name: N-butyl-N-[(2S)-2-isocyanato-4-methylpentanoyl]carbamoyl chloride Traditional Name: N-butyl-N-[(2S)-2-isocyanato-4-methyl-pentanoyl]carbamoyl chloride Formula: C12H19ClN2O3 MolecularWeight: 274.74386

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C(=O)C(CC(C)C)N=C=O)C(=O)Cl

Isomeric SMILES

CCCCN(C(=O)[C@H](CC(C)C)N=C=O)C(=O)Cl

InChI

InChI=1S/C12H19ClN2O3/c1-4-5-6-15(12(13)18)11(17)10(14-8-16)7-9(2)3/h9-10H,4-7H2,1-3H3/t10-/m0/s1