ethyl 2-[2-(3-bromanyl-4-ethoxy-5-methoxy-phenyl)ethenyl]-5-nitro-pyridine-3-carboxylate

Systemtic Name: ethyl 2-[2-(3-bromanyl-4-ethoxy-5-methoxy-phenyl)ethenyl]-5-nitro-pyridine-3-carboxylate Openeye Name: ethyl 2-[2-(3-bromo-4-ethoxy-5-methoxy-phenyl)vinyl]-5-nitro-pyridine-3-carboxylate CAS Name: 2-[2-(3-bromo-4-ethoxy-5-methoxyphenyl)ethenyl]-5-nitro-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(3-bromo-4-ethoxy-5-methoxyphenyl)ethenyl]-5-nitropyridine-3-carboxylate Traditional Name: 2-[2-(3-bromo-4-ethoxy-5-methoxy-phenyl)vinyl]-5-nitro-nicotinic acid ethyl ester Formula: C19H19BrN2O6 MolecularWeight: 451.26796

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Br)C=CC2=NC=C(C=C2C(=O)OCC)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Br)C=CC2=NC=C(C=C2C(=O)OCC)[N+](=O)[O-])OC

InChI

InChI=1S/C19H19BrN2O6/c1-4-27-18-15(20)8-12(9-17(18)26-3)6-7-16-14(19(23)28-5-2)10-13(11-21-16)22(24)25/h6-11H,4-5H2,1-3H3