2-isocyanato-4-methyl-pentanoate

Systemtic Name: 2-isocyanato-4-methyl-pentanoate Openeye Name: 2-isocyanato-4-methyl-pentanoate CAS Name: 2-isocyanato-4-methylpentanoate IUPAC Name: 2-isocyanato-4-methylpentanoate Traditional Name: 2-isocyanato-4-methyl-valerate Formula: C7H10NO3- MolecularWeight: 156.1592

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)[O-])N=C=O

Isomeric SMILES

CC(C)CC(C(=O)[O-])N=C=O

InChI

InChI=1S/C7H11NO3/c1-5(2)3-6(7(10)11)8-4-9/h5-6H,3H2,1-2H3,(H,10,11)/p-1