(E)-3-[4-[bis(2-bromoethyl)amino]phenyl]-2-cyano-prop-2-enamide

Systemtic Name: (E)-3-[4-[bis(2-bromoethyl)amino]phenyl]-2-cyano-prop-2-enamide Openeye Name: (E)-3-[4-[bis(2-bromoethyl)amino]phenyl]-2-cyano-prop-2-enamide CAS Name: (E)-3-[4-[bis(2-bromoethyl)amino]phenyl]-2-cyano-2-propenamide IUPAC Name: (E)-3-[4-[bis(2-bromoethyl)amino]phenyl]-2-cyanoprop-2-enamide Traditional Name: (E)-3-[4-[bis(2-bromoethyl)amino]phenyl]-2-cyano-acrylamide Formula: C14H15Br2N3O MolecularWeight: 401.0964

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=C(C#N)C(=O)N)N(CCBr)CCBr

Isomeric SMILES

C1=CC(=CC=C1/C=C(\C#N)/C(=O)N)N(CCBr)CCBr

InChI

InChI=1S/C14H15Br2N3O/c15-5-7-19(8-6-16)13-3-1-11(2-4-13)9-12(10-17)14(18)20/h1-4,9H,5-8H2,(H2,18,20)/b12-9+