1-[ethyl-[4-[(2-methoxy-4-nitro-phenyl)diazenyl]-3-methyl-phenyl]amino]ethyl 2-methylbenzenesulfonate

Systemtic Name: 1-[ethyl-[4-[(2-methoxy-4-nitro-phenyl)diazenyl]-3-methyl-phenyl]amino]ethyl 2-methylbenzenesulfonate Openeye Name: 1-[N-ethyl-4-(2-methoxy-4-nitro-phenyl)azo-3-methyl-anilino]ethyl 2-methylbenzenesulfonate CAS Name: 2-methylbenzenesulfonic acid 1-[N-ethyl-4-(2-methoxy-4-nitrophenyl)azo-3-methylanilino]ethyl ester IUPAC Name: 1-[N-ethyl-4-[(2-methoxy-4-nitrophenyl)diazenyl]-3-methylanilino]ethyl 2-methylbenzenesulfonate Traditional Name: 2-methylbenzenesulfonic acid 1-[N-ethyl-4-(2-methoxy-4-nitro-phenyl)azo-3-methyl-anilino]ethyl ester Formula: C25H28N4O6S MolecularWeight: 512.57802

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC(=C(C=C1)N=NC2=C(C=C(C=C2)[N+](=O)[O-])OC)C)C(C)OS(=O)(=O)C3=CC=CC=C3C

Isomeric SMILES

CCN(C1=CC(=C(C=C1)N=NC2=C(C=C(C=C2)[N+](=O)[O-])OC)C)C(C)OS(=O)(=O)C3=CC=CC=C3C

InChI

InChI=1S/C25H28N4O6S/c1-6-28(19(4)35-36(32,33)25-10-8-7-9-17(25)2)20-11-13-22(18(3)15-20)26-27-23-14-12-21(29(30)31)16-24(23)34-5/h7-16,19H,6H2,1-5H3