ethyl 2-[(E)-2-(3-chloranyl-5-methoxy-4-prop-2-ynoxy-phenyl)ethenyl]-5-nitro-pyridine-3-carboxylate

Systemtic Name: ethyl 2-[(E)-2-(3-chloranyl-5-methoxy-4-prop-2-ynoxy-phenyl)ethenyl]-5-nitro-pyridine-3-carboxylate Openeye Name: ethyl 2-[(E)-2-(3-chloro-5-methoxy-4-prop-2-ynoxy-phenyl)vinyl]-5-nitro-pyridine-3-carboxylate CAS Name: 2-[(E)-2-(3-chloro-5-methoxy-4-prop-2-ynoxyphenyl)ethenyl]-5-nitro-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(E)-2-(3-chloro-5-methoxy-4-prop-2-ynoxyphenyl)ethenyl]-5-nitropyridine-3-carboxylate Traditional Name: 2-[(E)-2-(3-chloro-5-methoxy-4-propargyloxy-phenyl)vinyl]-5-nitro-nicotinic acid ethyl ester Formula: C20H17ClN2O6 MolecularWeight: 416.81178

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CN=C1C=CC2=CC(=C(C(=C2)Cl)OCC#C)OC)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CN=C1/C=C/C2=CC(=C(C(=C2)Cl)OCC#C)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H17ClN2O6/c1-4-8-29-19-16(21)9-13(10-18(19)27-3)6-7-17-15(20(24)28-5-2)11-14(12-22-17)23(25)26/h1,6-7,9-12H,5,8H2,2-3H3/b7-6+