2-acetyloxy-4-[bis(2-chloroethyl)amino]benzoic acid

Systemtic Name: 2-acetyloxy-4-[bis(2-chloroethyl)amino]benzoic acid Openeye Name: 2-acetoxy-4-[bis(2-chloroethyl)amino]benzoic acid CAS Name: 2-acetyloxy-4-[bis(2-chloroethyl)amino]benzoic acid IUPAC Name: 2-acetyloxy-4-[bis(2-chloroethyl)amino]benzoic acid Traditional Name: 2-acetoxy-4-[bis(2-chloroethyl)amino]benzoic acid Formula: C13H15Cl2NO4 MolecularWeight: 320.1685

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=CC(=C1)N(CCCl)CCCl)C(=O)O

Isomeric SMILES

CC(=O)OC1=C(C=CC(=C1)N(CCCl)CCCl)C(=O)O

InChI

InChI=1S/C13H15Cl2NO4/c1-9(17)20-12-8-10(2-3-11(12)13(18)19)16(6-4-14)7-5-15/h2-3,8H,4-7H2,1H3,(H,18,19)