ethyl 2-[(E)-2-[2,5-dimethyl-1-(2-propan-2-ylpyrazol-3-yl)pyrrol-3-yl]ethenyl]-5-nitro-pyridine-3-carboxylate

Systemtic Name: ethyl 2-[(E)-2-[2,5-dimethyl-1-(2-propan-2-ylpyrazol-3-yl)pyrrol-3-yl]ethenyl]-5-nitro-pyridine-3-carboxylate Openeye Name: ethyl 2-[(E)-2-[1-(2-isopropylpyrazol-3-yl)-2,5-dimethyl-pyrrol-3-yl]vinyl]-5-nitro-pyridine-3-carboxylate CAS Name: 2-[(E)-2-[2,5-dimethyl-1-(2-propan-2-yl-3-pyrazolyl)-3-pyrrolyl]ethenyl]-5-nitro-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(E)-2-[2,5-dimethyl-1-(2-propan-2-ylpyrazol-3-yl)pyrrol-3-yl]ethenyl]-5-nitropyridine-3-carboxylate Traditional Name: 2-[(E)-2-[1-(2-isopropylpyrazol-3-yl)-2,5-dimethyl-pyrrol-3-yl]vinyl]-5-nitro-nicotinic acid ethyl ester Formula: C22H25N5O4 MolecularWeight: 423.465

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CN=C1C=CC2=C(N(C(=C2)C)C3=CC=NN3C(C)C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CN=C1/C=C/C2=C(N(C(=C2)C)C3=CC=NN3C(C)C)C)[N+](=O)[O-]

InChI

InChI=1S/C22H25N5O4/c1-6-31-22(28)19-12-18(27(29)30)13-23-20(19)8-7-17-11-15(4)25(16(17)5)21-9-10-24-26(21)14(2)3/h7-14H,6H2,1-5H3/b8-7+