(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-azanyl-5-chloranyl-2-methoxy-benzoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-azanyl-5-chloranyl-2-methoxy-benzoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-amino-5-chloro-2-methoxy-benzoate CAS Name: 4-amino-5-chloro-2-methoxybenzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-amino-5-chloro-2-methoxybenzoate Traditional Name: 4-amino-5-chloro-2-methoxy-benzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C17H15ClN2O7 MolecularWeight: 394.7632

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)Cl)N

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)Cl)N

InChI

InChI=1S/C17H15ClN2O7/c1-24-15-5-14(19)13(18)4-12(15)17(21)26-7-10-3-11(20(22)23)2-9-6-25-8-27-16(9)10/h2-5H,6-8,19H2,1H3