pyridin-3-yl (4E)-3-methyl-4-[(4-nitrophenyl)hydrazinylidene]-6,7-dihydro-5H-1-benzofuran-2-carboxylate

Systemtic Name: pyridin-3-yl (4E)-3-methyl-4-[(4-nitrophenyl)hydrazinylidene]-6,7-dihydro-5H-1-benzofuran-2-carboxylate Openeye Name: 3-pyridyl (4E)-3-methyl-4-[(4-nitrophenyl)hydrazono]-6,7-dihydro-5H-benzofuran-2-carboxylate CAS Name: (4E)-3-methyl-4-[(4-nitrophenyl)hydrazinylidene]-6,7-dihydro-5H-benzofuran-2-carboxylic acid 3-pyridinyl ester IUPAC Name: pyridin-3-yl (4E)-3-methyl-4-[(4-nitrophenyl)hydrazinylidene]-6,7-dihydro-5H-1-benzofuran-2-carboxylate Traditional Name: (4E)-3-methyl-4-[(4-nitrophenyl)hydrazono]-6,7-dihydro-5H-benzofuran-2-carboxylic acid 3-pyridyl ester Formula: C21H18N4O5 MolecularWeight: 406.39142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(=NNC3=CC=C(C=C3)[N+](=O)[O-])CCC2)C(=O)OC4=CN=CC=C4

Isomeric SMILES

CC1=C(OC2=C1/C(=N/NC3=CC=C(C=C3)[N+](=O)[O-])/CCC2)C(=O)OC4=CN=CC=C4

InChI

InChI=1S/C21H18N4O5/c1-13-19-17(24-23-14-7-9-15(10-8-14)25(27)28)5-2-6-18(19)30-20(13)21(26)29-16-4-3-11-22-12-16/h3-4,7-12,23H,2,5-6H2,1H3/b24-17+