carbononitridic chloride; (2-methyl-4-oxidanylidene-3-prop-2-enyl-cyclopent-2-en-1-yl) 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate

Systemtic Name: carbononitridic chloride; (2-methyl-4-oxidanylidene-3-prop-2-enyl-cyclopent-2-en-1-yl) 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate Openeye Name: (3-allyl-2-methyl-4-oxo-cyclopent-2-en-1-yl) 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate; carbononitridic chloride CAS Name: carbononitridic chloride; 2,2-dimethyl-3-(2-methylprop-1-enyl)-1-cyclopropanecarboxylic acid (2-methyl-4-oxo-3-prop-2-enyl-1-cyclopent-2-enyl) ester IUPAC Name: carbononitridic chloride; (2-methyl-4-oxo-3-prop-2-enylcyclopent-2-en-1-yl) 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate Traditional Name: cyanogen chloride; 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylic acid (3-allyl-4-keto-2-methyl-cyclopent-2-en-1-yl) ester Formula: C20H26ClNO3 MolecularWeight: 363.87834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)CC1OC(=O)C2C(C2(C)C)C=C(C)C)CC=C.C(#N)Cl

Isomeric SMILES

CC1=C(C(=O)CC1OC(=O)C2C(C2(C)C)C=C(C)C)CC=C.C(#N)Cl

InChI

InChI=1S/C19H26O3.CClN/c1-7-8-13-12(4)16(10-15(13)20)22-18(21)17-14(9-11(2)3)19(17,5)6;2-1-3/h7,9,14,16-17H,1,8,10H2,2-6H3;