2-[2-acetyloxyethyl-[4-[(2-chloranyl-4-nitro-phenyl)diazenyl]-3-methyl-phenyl]amino]ethyl ethanoate

Systemtic Name: 2-[2-acetyloxyethyl-[4-[(2-chloranyl-4-nitro-phenyl)diazenyl]-3-methyl-phenyl]amino]ethyl ethanoate Openeye Name: 2-[N-(2-acetoxyethyl)-4-(2-chloro-4-nitro-phenyl)azo-3-methyl-anilino]ethyl acetate CAS Name: acetic acid 2-[N-(2-acetyloxyethyl)-4-(2-chloro-4-nitrophenyl)azo-3-methylanilino]ethyl ester IUPAC Name: 2-[N-(2-acetyloxyethyl)-4-[(2-chloro-4-nitrophenyl)diazenyl]-3-methylanilino]ethyl acetate Traditional Name: acetic acid 2-[N-(2-acetoxyethyl)-4-(2-chloro-4-nitro-phenyl)azo-3-methyl-anilino]ethyl ester Formula: C21H23ClN4O6 MolecularWeight: 462.88352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N(CCOC(=O)C)CCOC(=O)C)N=NC2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(C=CC(=C1)N(CCOC(=O)C)CCOC(=O)C)N=NC2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H23ClN4O6/c1-14-12-17(25(8-10-31-15(2)27)9-11-32-16(3)28)4-6-20(14)23-24-21-7-5-18(26(29)30)13-19(21)22/h4-7,12-13H,8-11H2,1-3H3