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

Systemtic Name: 3-[[4-[bis(2-chloroethyl)amino]-3-methoxy-phenyl]diazenyl]benzoic acid Openeye Name: 3-[4-[bis(2-chloroethyl)amino]-3-methoxy-phenyl]azobenzoic acid CAS Name: 3-[4-[bis(2-chloroethyl)amino]-3-methoxyphenyl]azobenzoic acid IUPAC Name: 3-[[4-[bis(2-chloroethyl)amino]-3-methoxyphenyl]diazenyl]benzoic acid Traditional Name: 3-[4-[bis(2-chloroethyl)amino]-3-methoxy-phenyl]azobenzoic acid Formula: C18H19Cl2N3O3 MolecularWeight: 396.26776

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)N=NC2=CC=CC(=C2)C(=O)O)N(CCCl)CCCl

Isomeric SMILES

COC1=C(C=CC(=C1)N=NC2=CC=CC(=C2)C(=O)O)N(CCCl)CCCl

InChI

InChI=1S/C18H19Cl2N3O3/c1-26-17-12-15(5-6-16(17)23(9-7-19)10-8-20)22-21-14-4-2-3-13(11-14)18(24)25/h2-6,11-12H,7-10H2,1H3,(H,24,25)