methyl 2-[[4-[bis(2-cyanoethyl)amino]phenyl]diazenyl]-5-nitro-benzoate

Systemtic Name: methyl 2-[[4-[bis(2-cyanoethyl)amino]phenyl]diazenyl]-5-nitro-benzoate Openeye Name: methyl 2-[4-[bis(2-cyanoethyl)amino]phenyl]azo-5-nitro-benzoate CAS Name: 2-[4-[bis(2-cyanoethyl)amino]phenyl]azo-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-[[4-[bis(2-cyanoethyl)amino]phenyl]diazenyl]-5-nitrobenzoate Traditional Name: 2-[4-[bis(2-cyanoethyl)amino]phenyl]azo-5-nitro-benzoic acid methyl ester Formula: C20H18N6O4 MolecularWeight: 406.39472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N6O4/c1-30-20(27)18-14-17(26(28)29)8-9-19(18)24-23-15-4-6-16(7-5-15)25(12-2-10-21)13-3-11-22/h4-9,14H,2-3,12-13H2,1H3