butyl prop-2-enoate; 2-methylidenebutanedioic acid; prop-2-enenitrile

Systemtic Name: butyl prop-2-enoate; 2-methylidenebutanedioic acid; prop-2-enenitrile Openeye Name: butyl prop-2-enoate; 2-methylenebutanedioic acid; prop-2-enenitrile CAS Name: 2-methylenebutanedioic acid; 2-propenenitrile; 2-propenoic acid butyl ester IUPAC Name: butyl prop-2-enoate; 2-methylidenebutanedioic acid; prop-2-enenitrile Traditional Name: acrylic acid butyl ester; acrylonitrile; itaconic acid Formula: C15H21NO6 MolecularWeight: 311.33034

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C=C.C=CC#N.C=C(CC(=O)O)C(=O)O

Isomeric SMILES

CCCCOC(=O)C=C.C=CC#N.C=C(CC(=O)O)C(=O)O

InChI

InChI=1S/C7H12O2.C5H6O4.C3H3N/c1-3-5-6-9-7(8)4-2;1-3(5(8)9)2-4(6)7;1-2-3-4/h4H,2-3,5-6H2,1H3;1-2H2,(H,6,7)(H,8,9);2H,1H2