2-[[4-[[2,6-bis(chloranyl)-4-nitro-phenyl]diazenyl]phenyl]-(2-cyanoethyl)amino]ethyl ethanoate

Systemtic Name: 2-[[4-[[2,6-bis(chloranyl)-4-nitro-phenyl]diazenyl]phenyl]-(2-cyanoethyl)amino]ethyl ethanoate Openeye Name: 2-[N-(2-cyanoethyl)-4-(2,6-dichloro-4-nitro-phenyl)azo-anilino]ethyl acetate CAS Name: acetic acid 2-[N-(2-cyanoethyl)-4-(2,6-dichloro-4-nitrophenyl)azoanilino]ethyl ester IUPAC Name: 2-[N-(2-cyanoethyl)-4-[(2,6-dichloro-4-nitrophenyl)diazenyl]anilino]ethyl acetate Traditional Name: acetic acid 2-[N-(2-cyanoethyl)-4-(2,6-dichloro-4-nitro-phenyl)azo-anilino]ethyl ester Formula: C19H17Cl2N5O4 MolecularWeight: 450.27538

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCN(CCC#N)C1=CC=C(C=C1)N=NC2=C(C=C(C=C2Cl)[N+](=O)[O-])Cl

Isomeric SMILES

CC(=O)OCCN(CCC#N)C1=CC=C(C=C1)N=NC2=C(C=C(C=C2Cl)[N+](=O)[O-])Cl

InChI

InChI=1S/C19H17Cl2N5O4/c1-13(27)30-10-9-25(8-2-7-22)15-5-3-14(4-6-15)23-24-19-17(20)11-16(26(28)29)12-18(19)21/h3-6,11-12H,2,8-10H2,1H3