(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 4-(methylamino)-3-nitro-benzoate

Systemtic Name: (5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 4-(methylamino)-3-nitro-benzoate Openeye Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 4-(methylamino)-3-nitro-benzoate CAS Name: 4-(methylamino)-3-nitrobenzoic acid (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester IUPAC Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 4-(methylamino)-3-nitrobenzoate Traditional Name: 4-(methylamino)-3-nitro-benzoic acid (5-chloro-2,3-dihydro-1,4-benzodioxin-7-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=CC3=C(C(=C2)Cl)OCCO3)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)OCC2=CC3=C(C(=C2)Cl)OCCO3)[N+](=O)[O-]

InChI

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