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

Systemtic Name: 2-[2-acetyloxyethyl-[4-[(2-cyano-4-nitro-phenyl)diazenyl]-3-methyl-phenyl]amino]ethyl ethanoate Openeye Name: 2-[N-(2-acetoxyethyl)-4-(2-cyano-4-nitro-phenyl)azo-3-methyl-anilino]ethyl acetate CAS Name: acetic acid 2-[N-(2-acetyloxyethyl)-4-(2-cyano-4-nitrophenyl)azo-3-methylanilino]ethyl ester IUPAC Name: 2-[N-(2-acetyloxyethyl)-4-[(2-cyano-4-nitrophenyl)diazenyl]-3-methylanilino]ethyl acetate Traditional Name: acetic acid 2-[N-(2-acetoxyethyl)-4-(2-cyano-4-nitro-phenyl)azo-3-methyl-anilino]ethyl ester Formula: C22H23N5O6 MolecularWeight: 453.44792

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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-])C#N

Isomeric SMILES

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

InChI

InChI=1S/C22H23N5O6/c1-15-12-19(26(8-10-32-16(2)28)9-11-33-17(3)29)4-6-21(15)24-25-22-7-5-20(27(30)31)13-18(22)14-23/h4-7,12-13H,8-11H2,1-3H3