[2-[bis(2-chloroethyl)amino]phenyl] 3-[2,4-dimethyl-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]-3-methyl-butanoate

Systemtic Name: [2-[bis(2-chloroethyl)amino]phenyl] 3-[2,4-dimethyl-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]-3-methyl-butanoate Openeye Name: [2-[bis(2-chloroethyl)amino]phenyl] 3-(2,4-dimethyl-3,6-dioxo-cyclohexa-1,4-dien-1-yl)-3-methyl-butanoate CAS Name: 3-(2,4-dimethyl-3,6-dioxo-1-cyclohexa-1,4-dienyl)-3-methylbutanoic acid [2-[bis(2-chloroethyl)amino]phenyl] ester IUPAC Name: [2-[bis(2-chloroethyl)amino]phenyl] 3-(2,4-dimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)-3-methylbutanoate Traditional Name: 3-(3,6-diketo-2,4-dimethyl-cyclohexa-1,4-dien-1-yl)-3-methyl-butyric acid [2-[bis(2-chloroethyl)amino]phenyl] ester Formula: C23H27Cl2NO4 MolecularWeight: 452.37078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=C(C1=O)C)C(C)(C)CC(=O)OC2=CC=CC=C2N(CCCl)CCCl

Isomeric SMILES

CC1=CC(=O)C(=C(C1=O)C)C(C)(C)CC(=O)OC2=CC=CC=C2N(CCCl)CCCl

InChI

InChI=1S/C23H27Cl2NO4/c1-15-13-18(27)21(16(2)22(15)29)23(3,4)14-20(28)30-19-8-6-5-7-17(19)26(11-9-24)12-10-25/h5-8,13H,9-12,14H2,1-4H3