4-[bis(2-chloroethyl)amino]-3-methoxy-benzoic acid

Systemtic Name: 4-[bis(2-chloroethyl)amino]-3-methoxy-benzoic acid Openeye Name: 4-[bis(2-chloroethyl)amino]-3-methoxy-benzoic acid CAS Name: 4-[bis(2-chloroethyl)amino]-3-methoxybenzoic acid IUPAC Name: 4-[bis(2-chloroethyl)amino]-3-methoxybenzoic acid Traditional Name: 4-[bis(2-chloroethyl)amino]-3-methoxy-benzoic acid Formula: C12H15Cl2NO3 MolecularWeight: 292.1584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)O)N(CCCl)CCCl

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)O)N(CCCl)CCCl

InChI

InChI=1S/C12H15Cl2NO3/c1-18-11-8-9(12(16)17)2-3-10(11)15(6-4-13)7-5-14/h2-3,8H,4-7H2,1H3,(H,16,17)