methyl 5-[bis(2-chloroethyl)amino]-2-[(4-nitrophenyl)diazenyl]benzoate

Systemtic Name: methyl 5-[bis(2-chloroethyl)amino]-2-[(4-nitrophenyl)diazenyl]benzoate Openeye Name: methyl 5-[bis(2-chloroethyl)amino]-2-(4-nitrophenyl)azo-benzoate CAS Name: 5-[bis(2-chloroethyl)amino]-2-(4-nitrophenyl)azobenzoic acid methyl ester IUPAC Name: methyl 5-[bis(2-chloroethyl)amino]-2-[(4-nitrophenyl)diazenyl]benzoate Traditional Name: 5-[bis(2-chloroethyl)amino]-2-(4-nitrophenyl)azo-benzoic acid methyl ester Formula: C18H18Cl2N4O4 MolecularWeight: 425.26592

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)N(CCCl)CCCl)N=NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)N(CCCl)CCCl)N=NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H18Cl2N4O4/c1-28-18(25)16-12-15(23(10-8-19)11-9-20)6-7-17(16)22-21-13-2-4-14(5-3-13)24(26)27/h2-7,12H,8-11H2,1H3