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

Systemtic Name: (7-chloranyl-1,3-benzodioxol-5-yl)methyl 1-methyl-4-nitro-pyrrole-2-carboxylate Openeye Name: (7-chloro-1,3-benzodioxol-5-yl)methyl 1-methyl-4-nitro-pyrrole-2-carboxylate CAS Name: 1-methyl-4-nitro-2-pyrrolecarboxylic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (7-chloro-1,3-benzodioxol-5-yl)methyl 1-methyl-4-nitropyrrole-2-carboxylate Traditional Name: 1-methyl-4-nitro-pyrrole-2-carboxylic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester Formula: C14H11ClN2O6 MolecularWeight: 338.69994

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)OCC2=CC3=C(C(=C2)Cl)OCO3)[N+](=O)[O-]

Isomeric SMILES

CN1C=C(C=C1C(=O)OCC2=CC3=C(C(=C2)Cl)OCO3)[N+](=O)[O-]

InChI

InChI=1S/C14H11ClN2O6/c1-16-5-9(17(19)20)4-11(16)14(18)21-6-8-2-10(15)13-12(3-8)22-7-23-13/h2-5H,6-7H2,1H3