3-[[4-[3-(4-dimethylaminophenyl)-2-ethanoyl-2-ethoxycarbonyl-aziridin-1-yl]phenyl]diazenyl]benzoic acid

Systemtic Name: 3-[[4-[3-(4-dimethylaminophenyl)-2-ethanoyl-2-ethoxycarbonyl-aziridin-1-yl]phenyl]diazenyl]benzoic acid Openeye Name: 3-[4-[2-acetyl-3-(4-dimethylaminophenyl)-2-ethoxycarbonyl-aziridin-1-yl]phenyl]azobenzoic acid CAS Name: 3-[4-[2-acetyl-3-(4-dimethylaminophenyl)-2-ethoxycarbonyl-1-aziridinyl]phenyl]azobenzoic acid IUPAC Name: 3-[[4-[2-acetyl-3-(4-dimethylaminophenyl)-2-ethoxycarbonylaziridin-1-yl]phenyl]diazenyl]benzoic acid Traditional Name: 3-[4-[2-acetyl-2-carbethoxy-3-(4-dimethylaminophenyl)ethylenimin-1-yl]phenyl]azobenzoic acid Formula: C28H28N4O5 MolecularWeight: 500.54572

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C28H28N4O5/c1-5-37-27(36)28(18(2)33)25(19-9-13-23(14-10-19)31(3)4)32(28)24-15-11-21(12-16-24)29-30-22-8-6-7-20(17-22)26(34)35/h6-17,25H,5H2,1-4H3,(H,34,35)