2-[ethyl-[4-[(2-methylsulfonyl-4-nitro-phenyl)diazenyl]phenyl]amino]ethyl 2-phenoxyethanoate

Systemtic Name: 2-[ethyl-[4-[(2-methylsulfonyl-4-nitro-phenyl)diazenyl]phenyl]amino]ethyl 2-phenoxyethanoate Openeye Name: 2-[N-ethyl-4-(2-methylsulfonyl-4-nitro-phenyl)azo-anilino]ethyl 2-phenoxyacetate CAS Name: 2-phenoxyacetic acid 2-[N-ethyl-4-(2-methylsulfonyl-4-nitrophenyl)azoanilino]ethyl ester IUPAC Name: 2-[N-ethyl-4-[(2-methylsulfonyl-4-nitrophenyl)diazenyl]anilino]ethyl 2-phenoxyacetate Traditional Name: 2-phenoxyacetic acid 2-[N-ethyl-4-(2-mesyl-4-nitro-phenyl)azo-anilino]ethyl ester Formula: C25H26N4O7S MolecularWeight: 526.56154

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCOC(=O)COC1=CC=CC=C1)C2=CC=C(C=C2)N=NC3=C(C=C(C=C3)[N+](=O)[O-])S(=O)(=O)C

Isomeric SMILES

CCN(CCOC(=O)COC1=CC=CC=C1)C2=CC=C(C=C2)N=NC3=C(C=C(C=C3)[N+](=O)[O-])S(=O)(=O)C

InChI

InChI=1S/C25H26N4O7S/c1-3-28(15-16-35-25(30)18-36-22-7-5-4-6-8-22)20-11-9-19(10-12-20)26-27-23-14-13-21(29(31)32)17-24(23)37(2,33)34/h4-14,17H,3,15-16,18H2,1-2H3