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

Systemtic Name: methyl (E)-2-benzamido-3-[4-[bis(2-chloroethyl)amino]phenyl]prop-2-enoate Openeye Name: methyl (E)-2-benzamido-3-[4-[bis(2-chloroethyl)amino]phenyl]prop-2-enoate CAS Name: (E)-2-benzamido-3-[4-[bis(2-chloroethyl)amino]phenyl]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-2-benzamido-3-[4-[bis(2-chloroethyl)amino]phenyl]prop-2-enoate Traditional Name: (E)-2-benzamido-3-[4-[bis(2-chloroethyl)amino]phenyl]acrylic acid methyl ester Formula: C21H22Cl2N2O3 MolecularWeight: 421.31698

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=CC1=CC=C(C=C1)N(CCCl)CCCl)NC(=O)C2=CC=CC=C2

Isomeric SMILES

COC(=O)/C(=C\C1=CC=C(C=C1)N(CCCl)CCCl)/NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H22Cl2N2O3/c1-28-21(27)19(24-20(26)17-5-3-2-4-6-17)15-16-7-9-18(10-8-16)25(13-11-22)14-12-23/h2-10,15H,11-14H2,1H3,(H,24,26)/b19-15+