(5-aminocarbonyl-1H-imidazol-4-yl) 4-[bis(2-chloroethyl)amino]benzoate

Systemtic Name: (5-aminocarbonyl-1H-imidazol-4-yl) 4-[bis(2-chloroethyl)amino]benzoate Openeye Name: (5-carbamoyl-1H-imidazol-4-yl) 4-[bis(2-chloroethyl)amino]benzoate CAS Name: 4-[bis(2-chloroethyl)amino]benzoic acid (5-carbamoyl-1H-imidazol-4-yl) ester IUPAC Name: (5-carbamoyl-1H-imidazol-4-yl) 4-[bis(2-chloroethyl)amino]benzoate Traditional Name: 4-[bis(2-chloroethyl)amino]benzoic acid (5-carbamoyl-1H-imidazol-4-yl) ester Formula: C15H16Cl2N4O3 MolecularWeight: 371.21854

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OC2=C(NC=N2)C(=O)N)N(CCCl)CCCl

Isomeric SMILES

C1=CC(=CC=C1C(=O)OC2=C(NC=N2)C(=O)N)N(CCCl)CCCl

InChI

InChI=1S/C15H16Cl2N4O3/c16-5-7-21(8-6-17)11-3-1-10(2-4-11)15(23)24-14-12(13(18)22)19-9-20-14/h1-4,9H,5-8H2,(H2,18,22)(H,19,20)