4-nitrooxybutyl 2-[2-[[2,6-bis(chloranyl)phenyl]amino]phenyl]ethanoate

Systemtic Name: 4-nitrooxybutyl 2-[2-[[2,6-bis(chloranyl)phenyl]amino]phenyl]ethanoate Openeye Name: 4-nitrooxybutyl 2-[2-(2,6-dichloroanilino)phenyl]acetate CAS Name: 2-[2-(2,6-dichloroanilino)phenyl]acetic acid 4-nitrooxybutyl ester IUPAC Name: 4-nitrooxybutyl 2-[2-(2,6-dichloroanilino)phenyl]acetate Traditional Name: 2-[2-(2,6-dichloroanilino)phenyl]acetic acid 4-nitrooxybutyl ester Formula: C18H18Cl2N2O5 MolecularWeight: 413.25192

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CC(=O)OCCCCO[N+](=O)[O-])NC2=C(C=CC=C2Cl)Cl

Isomeric SMILES

C1=CC=C(C(=C1)CC(=O)OCCCCO[N+](=O)[O-])NC2=C(C=CC=C2Cl)Cl

InChI

InChI=1S/C18H18Cl2N2O5/c19-14-7-5-8-15(20)18(14)21-16-9-2-1-6-13(16)12-17(23)26-10-3-4-11-27-22(24)25/h1-2,5-9,21H,3-4,10-12H2