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

Systemtic Name: ethyl 2-[(E)-2-(4-methyl-3-nitro-phenyl)ethenyl]-5-nitro-pyridine-3-carboxylate Openeye Name: ethyl 2-[(E)-2-(4-methyl-3-nitro-phenyl)vinyl]-5-nitro-pyridine-3-carboxylate CAS Name: 2-[(E)-2-(4-methyl-3-nitrophenyl)ethenyl]-5-nitro-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(E)-2-(4-methyl-3-nitrophenyl)ethenyl]-5-nitropyridine-3-carboxylate Traditional Name: 2-[(E)-2-(4-methyl-3-nitro-phenyl)vinyl]-5-nitro-nicotinic acid ethyl ester Formula: C17H15N3O6 MolecularWeight: 357.3175

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N3O6/c1-3-26-17(21)14-9-13(19(22)23)10-18-15(14)7-6-12-5-4-11(2)16(8-12)20(24)25/h4-10H,3H2,1-2H3/b7-6+