ethyl 2-[(E)-2-(7-chloranyl-1,3-benzodioxol-5-yl)ethenyl]-5-nitro-pyridine-3-carboxylate

Systemtic Name: ethyl 2-[(E)-2-(7-chloranyl-1,3-benzodioxol-5-yl)ethenyl]-5-nitro-pyridine-3-carboxylate Openeye Name: ethyl 2-[(E)-2-(7-chloro-1,3-benzodioxol-5-yl)vinyl]-5-nitro-pyridine-3-carboxylate CAS Name: 2-[(E)-2-(7-chloro-1,3-benzodioxol-5-yl)ethenyl]-5-nitro-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(E)-2-(7-chloro-1,3-benzodioxol-5-yl)ethenyl]-5-nitropyridine-3-carboxylate Traditional Name: 2-[(E)-2-(7-chloro-1,3-benzodioxol-5-yl)vinyl]-5-nitro-nicotinic acid ethyl ester Formula: C17H13ClN2O6 MolecularWeight: 376.74792

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CN=C1C=CC2=CC3=C(C(=C2)Cl)OCO3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CN=C1/C=C/C2=CC3=C(C(=C2)Cl)OCO3)[N+](=O)[O-]

InChI

InChI=1S/C17H13ClN2O6/c1-2-24-17(21)12-7-11(20(22)23)8-19-14(12)4-3-10-5-13(18)16-15(6-10)25-9-26-16/h3-8H,2,9H2,1H3/b4-3+