2-[[4-[bis(2-chloroethyl)amino]-2-methyl-phenyl]diazenyl]-5-methyl-benzoic acid

Systemtic Name: 2-[[4-[bis(2-chloroethyl)amino]-2-methyl-phenyl]diazenyl]-5-methyl-benzoic acid Openeye Name: 2-[4-[bis(2-chloroethyl)amino]-2-methyl-phenyl]azo-5-methyl-benzoic acid CAS Name: 2-[4-[bis(2-chloroethyl)amino]-2-methylphenyl]azo-5-methylbenzoic acid IUPAC Name: 2-[[4-[bis(2-chloroethyl)amino]-2-methylphenyl]diazenyl]-5-methylbenzoic acid Traditional Name: 2-[4-[bis(2-chloroethyl)amino]-2-methyl-phenyl]azo-5-methyl-benzoic acid Formula: C19H21Cl2N3O2 MolecularWeight: 394.29494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N=NC2=C(C=C(C=C2)N(CCCl)CCCl)C)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)N=NC2=C(C=C(C=C2)N(CCCl)CCCl)C)C(=O)O

InChI

InChI=1S/C19H21Cl2N3O2/c1-13-3-5-18(16(11-13)19(25)26)23-22-17-6-4-15(12-14(17)2)24(9-7-20)10-8-21/h3-6,11-12H,7-10H2,1-2H3,(H,25,26)