ethyl 3-(4-dimethylaminophenyl)-2-ethanoyl-1-[4-[(3-nitrophenyl)diazenyl]phenyl]aziridine-2-carboxylate

Systemtic Name: ethyl 3-(4-dimethylaminophenyl)-2-ethanoyl-1-[4-[(3-nitrophenyl)diazenyl]phenyl]aziridine-2-carboxylate Openeye Name: ethyl 2-acetyl-3-(4-dimethylaminophenyl)-1-[4-(3-nitrophenyl)azophenyl]aziridine-2-carboxylate CAS Name: 2-acetyl-3-(4-dimethylaminophenyl)-1-[4-(3-nitrophenyl)azophenyl]-2-aziridinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-acetyl-3-(4-dimethylaminophenyl)-1-[4-[(3-nitrophenyl)diazenyl]phenyl]aziridine-2-carboxylate Traditional Name: 2-acetyl-3-(4-dimethylaminophenyl)-1-[4-(3-nitrophenyl)azophenyl]ethylenimine-2-carboxylic acid ethyl ester Formula: C27H27N5O5 MolecularWeight: 501.53378

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(C(N1C2=CC=C(C=C2)N=NC3=CC(=CC=C3)[N+](=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)[N+](=O)[O-])C4=CC=C(C=C4)N(C)C)C(=O)C

InChI

InChI=1S/C27H27N5O5/c1-5-37-26(34)27(18(2)33)25(19-9-13-22(14-10-19)30(3)4)31(27)23-15-11-20(12-16-23)28-29-21-7-6-8-24(17-21)32(35)36/h6-17,25H,5H2,1-4H3