bis(1-chloroethyl) 5,6-dimethyl-2-prop-2-enyl-2H-benzimidazole-1,3-dicarboxylate

Systemtic Name: bis(1-chloroethyl) 5,6-dimethyl-2-prop-2-enyl-2H-benzimidazole-1,3-dicarboxylate Openeye Name: bis(1-chloroethyl) 2-allyl-5,6-dimethyl-2H-benzimidazole-1,3-dicarboxylate CAS Name: 5,6-dimethyl-2-prop-2-enyl-2H-benzimidazole-1,3-dicarboxylic acid bis(1-chloroethyl) ester IUPAC Name: bis(1-chloroethyl) 5,6-dimethyl-2-prop-2-enyl-2H-benzimidazole-1,3-dicarboxylate Traditional Name: 2-allyl-5,6-dimethyl-2H-benzimidazole-1,3-dicarboxylic acid bis(1-chloroethyl) ester Formula: C18H22Cl2N2O4 MolecularWeight: 401.28428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N(C(N2C(=O)OC(C)Cl)CC=C)C(=O)OC(C)Cl

Isomeric SMILES

CC1=CC2=C(C=C1C)N(C(N2C(=O)OC(C)Cl)CC=C)C(=O)OC(C)Cl

InChI

InChI=1S/C18H22Cl2N2O4/c1-6-7-16-21(17(23)25-12(4)19)14-8-10(2)11(3)9-15(14)22(16)18(24)26-13(5)20/h6,8-9,12-13,16H,1,7H2,2-5H3