methyl (E)-3-[4-[bis(2-chloroethyl)amino]phenyl]-2-cyano-prop-2-enoate

Systemtic Name: methyl (E)-3-[4-[bis(2-chloroethyl)amino]phenyl]-2-cyano-prop-2-enoate Openeye Name: methyl (E)-3-[4-[bis(2-chloroethyl)amino]phenyl]-2-cyano-prop-2-enoate CAS Name: (E)-3-[4-[bis(2-chloroethyl)amino]phenyl]-2-cyano-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-[4-[bis(2-chloroethyl)amino]phenyl]-2-cyanoprop-2-enoate Traditional Name: (E)-3-[4-[bis(2-chloroethyl)amino]phenyl]-2-cyano-acrylic acid methyl ester Formula: C15H16Cl2N2O2 MolecularWeight: 327.20574

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=CC1=CC=C(C=C1)N(CCCl)CCCl)C#N

Isomeric SMILES

COC(=O)/C(=C/C1=CC=C(C=C1)N(CCCl)CCCl)/C#N

InChI

InChI=1S/C15H16Cl2N2O2/c1-21-15(20)13(11-18)10-12-2-4-14(5-3-12)19(8-6-16)9-7-17/h2-5,10H,6-9H2,1H3/b13-10+