ethyl 3-(4-dimethylaminophenyl)-2-ethanoyl-1-(4-phenyldiazenylphenyl)aziridine-2-carboxylate

Systemtic Name: ethyl 3-(4-dimethylaminophenyl)-2-ethanoyl-1-(4-phenyldiazenylphenyl)aziridine-2-carboxylate Openeye Name: ethyl 2-acetyl-3-(4-dimethylaminophenyl)-1-(4-phenylazophenyl)aziridine-2-carboxylate CAS Name: 2-acetyl-3-(4-dimethylaminophenyl)-1-(4-phenyldiazenylphenyl)-2-aziridinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-acetyl-3-(4-dimethylaminophenyl)-1-(4-phenyldiazenylphenyl)aziridine-2-carboxylate Traditional Name: 2-acetyl-3-(4-dimethylaminophenyl)-1-(4-phenylazophenyl)ethylenimine-2-carboxylic acid ethyl ester Formula: C27H28N4O3 MolecularWeight: 456.53622

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(C(N1C2=CC=C(C=C2)N=NC3=CC=CC=C3)C4=CC=C(C=C4)N(C)C)C(=O)C

Isomeric SMILES

CCOC(=O)C1(C(N1C2=CC=C(C=C2)N=NC3=CC=CC=C3)C4=CC=C(C=C4)N(C)C)C(=O)C

InChI

InChI=1S/C27H28N4O3/c1-5-34-26(33)27(19(2)32)25(20-11-15-23(16-12-20)30(3)4)31(27)24-17-13-22(14-18-24)29-28-21-9-7-6-8-10-21/h6-18,25H,5H2,1-4H3