4-[4-[bis(2-chloroethyl)amino]phenyl]imino-2-methyl-cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[4-[bis(2-chloroethyl)amino]phenyl]imino-2-methyl-cyclohexa-2,5-dien-1-one Openeye Name: 4-[4-[bis(2-chloroethyl)amino]phenyl]imino-2-methyl-cyclohexa-2,5-dien-1-one CAS Name: 4-[4-[bis(2-chloroethyl)amino]phenyl]imino-2-methyl-1-cyclohexa-2,5-dienone IUPAC Name: 4-[4-[bis(2-chloroethyl)amino]phenyl]imino-2-methylcyclohexa-2,5-dien-1-one Traditional Name: 4-[4-[bis(2-chloroethyl)amino]phenyl]imino-2-methyl-cyclohexa-2,5-dien-1-one Formula: C17H18Cl2N2O MolecularWeight: 337.24362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=C(C=C2)N(CCCl)CCCl)C=CC1=O

Isomeric SMILES

CC1=CC(=NC2=CC=C(C=C2)N(CCCl)CCCl)C=CC1=O

InChI

InChI=1S/C17H18Cl2N2O/c1-13-12-15(4-7-17(13)22)20-14-2-5-16(6-3-14)21(10-8-18)11-9-19/h2-7,12H,8-11H2,1H3