(4E)-4-[(2,4-dinitrophenyl)hydrazinylidene]-3-methyl-N-(pyridin-3-ylmethyl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide

Systemtic Name: (4E)-4-[(2,4-dinitrophenyl)hydrazinylidene]-3-methyl-N-(pyridin-3-ylmethyl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide Openeye Name: (4E)-4-[(2,4-dinitrophenyl)hydrazono]-3-methyl-N-(3-pyridylmethyl)-6,7-dihydro-5H-benzofuran-2-carboxamide CAS Name: (4E)-4-[(2,4-dinitrophenyl)hydrazinylidene]-3-methyl-N-(3-pyridinylmethyl)-6,7-dihydro-5H-benzofuran-2-carboxamide IUPAC Name: (4E)-4-[(2,4-dinitrophenyl)hydrazinylidene]-3-methyl-N-(pyridin-3-ylmethyl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide Traditional Name: (4E)-4-[(2,4-dinitrophenyl)hydrazono]-3-methyl-N-(3-pyridylmethyl)-6,7-dihydro-5H-benzofuran-2-carboxamide Formula: C22H20N6O6 MolecularWeight: 464.4308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(=NNC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])CCC2)C(=O)NCC4=CN=CC=C4

Isomeric SMILES

CC1=C(OC2=C1/C(=N/NC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])/CCC2)C(=O)NCC4=CN=CC=C4

InChI

InChI=1S/C22H20N6O6/c1-13-20-17(26-25-16-8-7-15(27(30)31)10-18(16)28(32)33)5-2-6-19(20)34-21(13)22(29)24-12-14-4-3-9-23-11-14/h3-4,7-11,25H,2,5-6,12H2,1H3,(H,24,29)/b26-17+