ethyl 2-[(E)-2-(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)ethenyl]-5-nitro-pyridine-3-carboxylate

Systemtic Name: ethyl 2-[(E)-2-(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)ethenyl]-5-nitro-pyridine-3-carboxylate Openeye Name: ethyl 2-[(E)-2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)vinyl]-5-nitro-pyridine-3-carboxylate CAS Name: 2-[(E)-2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethenyl]-5-nitro-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(E)-2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethenyl]-5-nitropyridine-3-carboxylate Traditional Name: 2-[(E)-2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)vinyl]-5-nitro-nicotinic acid ethyl ester Formula: C18H15ClN2O6 MolecularWeight: 390.7745

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CN=C1C=CC2=CC3=C(C(=C2)Cl)OCCO3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CN=C1/C=C/C2=CC3=C(C(=C2)Cl)OCCO3)[N+](=O)[O-]

InChI

InChI=1S/C18H15ClN2O6/c1-2-25-18(22)13-9-12(21(23)24)10-20-15(13)4-3-11-7-14(19)17-16(8-11)26-5-6-27-17/h3-4,7-10H,2,5-6H2,1H3/b4-3+