4-isocyanobutan-2-yl (E)-but-2-enoate

Systemtic Name: 4-isocyanobutan-2-yl (E)-but-2-enoate Openeye Name: (3-isocyano-1-methyl-propyl) (E)-but-2-enoate CAS Name: (E)-2-butenoic acid 4-isocyanobutan-2-yl ester IUPAC Name: 4-isocyanobutan-2-yl (E)-but-2-enoate Traditional Name: (E)-but-2-enoic acid (3-isocyano-1-methyl-propyl) ester Formula: C9H13NO2 MolecularWeight: 167.20502

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC(=O)OC(C)CC[N+]#[C-]

Isomeric SMILES

C/C=C/C(=O)OC(C)CC[N+]#[C-]

InChI

InChI=1S/C9H13NO2/c1-4-5-9(11)12-8(2)6-7-10-3/h4-5,8H,6-7H2,1-2H3/b5-4+