1-phenylethyl 4,5-dimethyl-2-[(4-nitrophenyl)diazenyl]benzoate

Systemtic Name: 1-phenylethyl 4,5-dimethyl-2-[(4-nitrophenyl)diazenyl]benzoate Openeye Name: 1-phenylethyl 4,5-dimethyl-2-(4-nitrophenyl)azo-benzoate CAS Name: 4,5-dimethyl-2-(4-nitrophenyl)azobenzoic acid 1-phenylethyl ester IUPAC Name: 1-phenylethyl 4,5-dimethyl-2-[(4-nitrophenyl)diazenyl]benzoate Traditional Name: 4,5-dimethyl-2-(4-nitrophenyl)azo-benzoic acid 1-phenylethyl ester Formula: C23H21N3O4 MolecularWeight: 403.43054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)C(=O)OC(C)C2=CC=CC=C2)N=NC3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C(=C1)C(=O)OC(C)C2=CC=CC=C2)N=NC3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C23H21N3O4/c1-15-13-21(23(27)30-17(3)18-7-5-4-6-8-18)22(14-16(15)2)25-24-19-9-11-20(12-10-19)26(28)29/h4-14,17H,1-3H3