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

Systemtic Name: (5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 1-methyl-4-nitro-pyrrole-2-carboxylate Openeye Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 1-methyl-4-nitro-pyrrole-2-carboxylate CAS Name: 1-methyl-4-nitro-2-pyrrolecarboxylic 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 1-methyl-4-nitropyrrole-2-carboxylate Traditional Name: 1-methyl-4-nitro-pyrrole-2-carboxylic acid (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester Formula: C15H13ClN2O6 MolecularWeight: 352.72652

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)OCC2=CC3=C(C(=C2)Cl)OCCO3)[N+](=O)[O-]

Isomeric SMILES

CN1C=C(C=C1C(=O)OCC2=CC3=C(C(=C2)Cl)OCCO3)[N+](=O)[O-]

InChI

InChI=1S/C15H13ClN2O6/c1-17-7-10(18(20)21)6-12(17)15(19)24-8-9-4-11(16)14-13(5-9)22-2-3-23-14/h4-7H,2-3,8H2,1H3