(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 4-[(2-nitrophenyl)amino]butanoate

Systemtic Name: (6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 4-[(2-nitrophenyl)amino]butanoate Openeye Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 4-(2-nitroanilino)butanoate CAS Name: 4-(2-nitroanilino)butanoic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 4-(2-nitroanilino)butanoate Traditional Name: 4-(2-nitroanilino)butyric acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C19H19ClN2O6 MolecularWeight: 406.81696

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)COC(=O)CCCNC3=CC=CC=C3[N+](=O)[O-])Cl

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)COC(=O)CCCNC3=CC=CC=C3[N+](=O)[O-])Cl

InChI

InChI=1S/C19H19ClN2O6/c20-15-8-13-10-26-12-28-19(13)14(9-15)11-27-18(23)6-3-7-21-16-4-1-2-5-17(16)22(24)25/h1-2,4-5,8-9,21H,3,6-7,10-12H2