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

Systemtic Name: 5-[bis(2-chloroethyl)amino]-2-[(4-carboxyphenyl)diazenyl]benzoic acid Openeye Name: 5-[bis(2-chloroethyl)amino]-2-(4-carboxyphenyl)azo-benzoic acid CAS Name: 5-[bis(2-chloroethyl)amino]-2-(4-carboxyphenyl)azobenzoic acid IUPAC Name: 5-[bis(2-chloroethyl)amino]-2-[(4-carboxyphenyl)diazenyl]benzoic acid Traditional Name: 5-[bis(2-chloroethyl)amino]-2-(4-carboxyphenyl)azo-benzoic acid Formula: C18H17Cl2N3O4 MolecularWeight: 410.25128

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)N=NC2=C(C=C(C=C2)N(CCCl)CCCl)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)N=NC2=C(C=C(C=C2)N(CCCl)CCCl)C(=O)O

InChI

InChI=1S/C18H17Cl2N3O4/c19-7-9-23(10-8-20)14-5-6-16(15(11-14)18(26)27)22-21-13-3-1-12(2-4-13)17(24)25/h1-6,11H,7-10H2,(H,24,25)(H,26,27)