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

Systemtic Name: ethyl 2-[(E)-2-(4-chloranyl-3-nitro-phenyl)ethenyl]-5-nitro-pyridine-3-carboxylate Openeye Name: ethyl 2-[(E)-2-(4-chloro-3-nitro-phenyl)vinyl]-5-nitro-pyridine-3-carboxylate CAS Name: 2-[(E)-2-(4-chloro-3-nitrophenyl)ethenyl]-5-nitro-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(E)-2-(4-chloro-3-nitrophenyl)ethenyl]-5-nitropyridine-3-carboxylate Traditional Name: 2-[(E)-2-(4-chloro-3-nitro-phenyl)vinyl]-5-nitro-nicotinic acid ethyl ester Formula: C16H12ClN3O6 MolecularWeight: 377.73598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12ClN3O6/c1-2-26-16(21)12-8-11(19(22)23)9-18-14(12)6-4-10-3-5-13(17)15(7-10)20(24)25/h3-9H,2H2,1H3/b6-4+