(1-ethoxy-3-methyl-1-oxidanylidene-but-3-en-2-yl) 2-chloranyl-5-isocyanato-benzoate

Systemtic Name: (1-ethoxy-3-methyl-1-oxidanylidene-but-3-en-2-yl) 2-chloranyl-5-isocyanato-benzoate Openeye Name: (1-ethoxycarbonyl-2-methyl-allyl) 2-chloro-5-isocyanato-benzoate CAS Name: 2-chloro-5-isocyanatobenzoic acid (1-ethoxy-3-methyl-1-oxobut-3-en-2-yl) ester IUPAC Name: (1-ethoxy-3-methyl-1-oxobut-3-en-2-yl) 2-chloro-5-isocyanatobenzoate Traditional Name: 2-chloro-5-isocyanato-benzoic acid (1-carbethoxy-2-methyl-allyl) ester Formula: C15H14ClNO5 MolecularWeight: 323.72836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=C)C)OC(=O)C1=C(C=CC(=C1)N=C=O)Cl

Isomeric SMILES

CCOC(=O)C(C(=C)C)OC(=O)C1=C(C=CC(=C1)N=C=O)Cl

InChI

InChI=1S/C15H14ClNO5/c1-4-21-15(20)13(9(2)3)22-14(19)11-7-10(17-8-18)5-6-12(11)16/h5-7,13H,2,4H2,1,3H3