(Z)-7-isocyanato-2-methyl-hept-2-enoate; (Z)-3-isocyanato-2-methyl-pent-2-enoate; 2-(isocyanatomethyl)prop-2-enoate

Systemtic Name: (Z)-7-isocyanato-2-methyl-hept-2-enoate; (Z)-3-isocyanato-2-methyl-pent-2-enoate; 2-(isocyanatomethyl)prop-2-enoate Openeye Name: (Z)-7-isocyanato-2-methyl-hept-2-enoate; (Z)-3-isocyanato-2-methyl-pent-2-enoate; 2-(isocyanatomethyl)prop-2-enoate CAS Name: (Z)-7-isocyanato-2-methyl-2-heptenoate; (Z)-3-isocyanato-2-methyl-2-pentenoate; 2-(isocyanatomethyl)-2-propenoate IUPAC Name: (Z)-7-isocyanato-2-methylhept-2-enoate; (Z)-3-isocyanato-2-methylpent-2-enoate; 2-(isocyanatomethyl)prop-2-enoate Traditional Name: 2-(isocyanatomethyl)acrylate; (Z)-7-isocyanato-2-methyl-hept-2-enoate; (Z)-3-isocyanato-2-methyl-pent-2-enoate Formula: C21H24N3O9-3 MolecularWeight: 462.42996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=C(C)C(=O)[O-])N=C=O.CC(=CCCCCN=C=O)C(=O)[O-].C=C(CN=C=O)C(=O)[O-]

Isomeric SMILES

CC/C(=C(\C)/C(=O)[O-])/N=C=O.C/C(=C/CCCCN=C=O)/C(=O)[O-].C=C(CN=C=O)C(=O)[O-]

InChI

InChI=1S/C9H13NO3.C7H9NO3.C5H5NO3/c1-8(9(12)13)5-3-2-4-6-10-7-11;1-3-6(8-4-9)5(2)7(10)11;1-4(5(8)9)2-6-3-7/h5H,2-4,6H2,1H3,(H,12,13);3H2,1-2H3,(H,10,11);1-2H2,(H,8,9)/p-3/b8-5-;6-5-;