(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 4-(methylamino)-3-nitro-benzoate

Systemtic Name: (6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 4-(methylamino)-3-nitro-benzoate Openeye Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 4-(methylamino)-3-nitro-benzoate CAS Name: 4-(methylamino)-3-nitrobenzoic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 4-(methylamino)-3-nitrobenzoate Traditional Name: 4-(methylamino)-3-nitro-benzoic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C17H15ClN2O6 MolecularWeight: 378.7638

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)OCC2=C3C(=CC(=C2)Cl)COCO3)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)OCC2=C3C(=CC(=C2)Cl)COCO3)[N+](=O)[O-]

InChI

InChI=1S/C17H15ClN2O6/c1-19-14-3-2-10(6-15(14)20(22)23)17(21)25-8-12-5-13(18)4-11-7-24-9-26-16(11)12/h2-6,19H,7-9H2,1H3